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Benzoic acid, 3-amino-4-[5-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-3-chloro-4-hydroxy-2-methylphenoxy]-, butyl ester

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 3-amino-4-[5-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-3-chloro-4-hydroxy-2-methylphenoxy]-, butyl ester
SpectraBase Compound ID 64iMLddNWRB
InChI InChI=1S/C38H51ClN2O6/c1-10-14-19-45-36(44)24-15-17-31(27(40)20-24)47-32-22-28(34(42)33(39)23(32)5)41-35(43)29(11-2)46-30-18-16-25(37(6,7)12-3)21-26(30)38(8,9)13-4/h15-18,20-22,29,42H,10-14,19,40H2,1-9H3,(H,41,43)
InChIKey GHWTXYMMJCRAKH-UHFFFAOYSA-N
Mol Weight 667.3 g/mol
Molecular Formula C38H51ClN2O6
Exact Mass 666.343565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 661SqU2bkRu
Name Benzoic acid, 3-amino-4-[5-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-3-chloro-4-hydroxy-2-methylphenoxy]-, butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H51ClN2O6
InChI InChI=1S/C38H51ClN2O6/c1-10-14-19-45-36(44)24-15-17-31(27(40)20-24)47-32-22-28(34(42)33(39)23(32)5)41-35(43)29(11-2)46-30-18-16-25(37(6,7)12-3)21-26(30)38(8,9)13-4/h15-18,20-22,29,42H,10-14,19,40H2,1-9H3,(H,41,43)
InChIKey GHWTXYMMJCRAKH-UHFFFAOYSA-N
Molecular Weight 667.287 g/mol
SMILES N(c1c(c(c(c(c1)Oc1ccc(C(OCCCC)=O)cc1N)C)Cl)O)C(=O)C(CC)Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC
SPLASH splash10-0ktf-9743112000-e03e63a58018b886a183
Source of Spectrum JX-2015-4-1413
Synonyms Butyl 3-amino-4-(3-chloro-5-(2-(2,4-di-tert-pentylphenoxy)butanamido)-4-hydroxy-2-methylphenoxy)benzoate Butyl 3-amino-4-[5-({2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl}amino)-3-chloro-4-hydroxy-2-methylphenoxy]benzoate 3-Amino-4-[5-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-3-chloro-4-hydroxy-2-methylphenoxy]benzoic acid butyl ester Butyl 3-amino-4-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-chloro-4-hydroxy-2-methylphenoxy]benzoate Butyl 3-amino-4-[5-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-3-chloro-4-hydroxy-2-methyl-phenoxy]benzoate Butyl 3-azanyl-4-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-chloranyl-2-methyl-4-oxidanyl-phenoxy]benzoate
Wiley ID 1726801