methyl 4-[[1-(4-acetamidophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-(4-acetamidophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(4-acetamidophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-acetamidophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-acetamidophenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O5/c1-13(25)22-16-7-9-18(10-8-16)24-12-15(11-19(24)26)20(27)23-17-5-3-14(4-6-17)21(28)29-2/h3-10,15H,11-12H2,1-2H3,(H,22,25)(H,23,27)