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1H-Indole-1-carboxylic acid, 3-[[3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-4-imidazolidinyl]methyl]-, 1,1-dimethylethyl ester, (2S-trans)-
SpectraBase Compound ID BxamDVdqq3s
InChI InChI=1S/C29H35N3O4/c1-28(2,3)26-30(7)25(34)23(32(26)24(33)19-13-9-8-10-14-19)17-20-18-31(27(35)36-29(4,5)6)22-16-12-11-15-21(20)22/h8-16,18,23,26H,17H2,1-7H3
InChIKey WOXQQEYOKVWIBG-UHFFFAOYSA-N
Mol Weight 489.6 g/mol
Molecular Formula C29H35N3O4
Exact Mass 489.262757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HTsIpV4ua7
Name 1H-Indole-1-carboxylic acid, 3-[[3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-4-imidazolidinyl]methyl]-, 1,1-dimethylethyl ester, (2S-trans)-
CAS Registry Number 116159-76-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H35N3O4
InChI InChI=1S/C29H35N3O4/c1-28(2,3)26-30(7)25(34)23(32(26)24(33)19-13-9-8-10-14-19)17-20-18-31(27(35)36-29(4,5)6)22-16-12-11-15-21(20)22/h8-16,18,23,26H,17H2,1-7H3
InChIKey WOXQQEYOKVWIBG-UHFFFAOYSA-N
Molecular Weight 489.616 g/mol
SMILES CC(OC([n]1c2c(c(CC3N(C(N(C3=O)C)C(C)(C)C)C(=O)c3ccccc3)c1)cccc2)=O)(C)C
SPLASH splash10-0a59-8923500000-bb6020e247baeb049a37
Synonyms tert-Butyl 3-[(3-benzoyl-2-tert-butyl-1-methyl-5-oxo-4-imidazolidinyl)methyl]-1H-indole-1-carboxylate 3-[(3-benzoyl-2-tert-butyl-1-methyl-5-oxo-4-imidazolidinyl)methyl]-1-indolecarboxylic acid tert-butyl ester 3-[(3-benzoyl-2-tert-butyl-5-keto-1-methyl-imidazolidin-4-yl)methyl]indole-1-carboxylic acid tert-butyl ester tert-Butyl 3-[(3-benzoyl-2-tert-butyl-1-methyl-5-oxo-imidazolidin-4-yl)methyl]indole-1-carboxylate tert-Butyl 3-[[2-tert-butyl-1-methyl-5-oxidanylidene-3-(phenylcarbonyl)imidazolidin-4-yl]methyl]indole-1-carboxylate
Wiley ID 1485414