3-phenylpropyl 4-[(4-acetamidophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(4-acetamidophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(4-acetamidoanilino)-4-oxo-butanoate CAS Name: 4-(4-acetamidoanilino)-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(4-acetamidoanilino)-4-oxobutanoate Traditional Name: 4-(4-acetamidoanilino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4/c1-16(24)22-18-9-11-19(12-10-18)23-20(25)13-14-21(26)27-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H,22,24)(H,23,25)