ethyl 4-[[4-[(3-chlorophenyl)amino]-2-ethanoyl-4-oxidanylidene-butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[4-[(3-chlorophenyl)amino]-2-ethanoyl-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-acetyl-4-(3-chloroanilino)-4-oxo-butanoyl]amino]benzoate CAS Name: 4-[[2-acetyl-4-(3-chloroanilino)-1,4-dioxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-acetyl-4-(3-chloroanilino)-4-oxobutanoyl]amino]benzoate Traditional Name: 4-[[2-acetyl-4-(3-chloroanilino)-4-keto-butanoyl]amino]benzoic acid ethyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC(=O)NC2=CC(=CC=C2)Cl)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC(=O)NC2=CC(=CC=C2)Cl)C(=O)C

InChI

InChI=1S/C21H21ClN2O5/c1-3-29-21(28)14-7-9-16(10-8-14)24-20(27)18(13(2)25)12-19(26)23-17-6-4-5-15(22)11-17/h4-11,18H,3,12H2,1-2H3,(H,23,26)(H,24,27)