[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(phenylmethyl)amino]butanoate

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(phenylmethyl)amino]butanoate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] 4-(benzylamino)-4-oxo-butanoate CAS Name: 4-oxo-4-[(phenylmethyl)amino]butanoic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] 4-(benzylamino)-4-oxobutanoate Traditional Name: 4-(benzylamino)-4-keto-butyric acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5/c1-15(25)23-17-7-9-18(10-8-17)24-20(27)14-29-21(28)12-11-19(26)22-13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,22,26)(H,23,25)(H,24,27)