Benzoic acid, 4-[[2-[(3,5-dichloro-4-hydroxyphenyl)amino]-4,4-dimethyl-1,3-dioxopentyl]amino]-, methyl ester

SpectraBase Compound ID	HVrDa4x3ZUc
InChI	InChI=1S/C21H22Cl2N2O5/c1-21(2,3)18(27)16(24-13-9-14(22)17(26)15(23)10-13)19(28)25-12-7-5-11(6-8-12)20(29)30-4/h5-10,16,24,26H,1-4H3,(H,25,28)
InChIKey	MZYRBJMJDSWKED-UHFFFAOYSA-N Google Search
Mol Weight	453.32 g/mol
Molecular Formula	C21H22Cl2N2O5
Exact Mass	452.090577 g/mol

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SpectraBase Spectrum ID	2uuVlpF9wdf
Name	Benzoic acid, 4-[[2-[(3,5-dichloro-4-hydroxyphenyl)amino]-4,4-dimethyl-1,3-dioxopentyl]amino]-, methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H22Cl2N2O5
InChI	InChI=1S/C21H22Cl2N2O5/c1-21(2,3)18(27)16(24-13-9-14(22)17(26)15(23)10-13)19(28)25-12-7-5-11(6-8-12)20(29)30-4/h5-10,16,24,26H,1-4H3,(H,25,28)
InChIKey	MZYRBJMJDSWKED-UHFFFAOYSA-N
Molecular Weight	453.322 g/mol
SMILES	N(c1ccc(C(=O)OC)cc1)C(C(Nc1cc(c(c(c1)Cl)O)Cl)C(=O)C(C)(C)C)=O
SPLASH	splash10-00kf-3903000000-418c04930890c86fb2ab
Source of Spectrum	JX-2015-4-638
Synonyms	Methyl 4-(2-((3,5-dichloro-4-hydroxyphenyl)amino)-4,4-dimethyl-3-oxopentanamido)benzoate Methyl 4-{[N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-3-oxoleucyl]amino}benzoate 4-[[2-(3,5-dichloro-4-hydroxyanilino)-4,4-dimethyl-1,3-dioxopentyl]amino]benzoic acid methyl ester Methyl 4-[[2-(3,5-dichloro-4-hydroxyanilino)-4,4-dimethyl-3-oxopentanoyl]amino]benzoate Methyl 4-[[2-(3,5-dichloro-4-hydroxy-anilino)-4,4-dimethyl-3-oxo-pentanoyl]amino]benzoate Methyl 4-[[2-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]amino]-4,4-dimethyl-3-oxidanylidene-pentanoyl]amino]benzoate
Wiley ID	1726062