4-[[4-oxidanylidene-6-[(phenylmethyl)carbamoyl]-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-oxidanylidene-6-[(phenylmethyl)carbamoyl]-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(benzylcarbamoyl)-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[oxo-[(phenylmethyl)amino]methyl]-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(benzylcarbamoyl)-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(benzylcarbamoyl)-4-keto-1H-quinolin-3-yl]methyl]benzoic acid Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H20N2O4/c28-23-20(12-16-6-8-18(9-7-16)25(30)31)15-26-22-11-10-19(13-21(22)23)24(29)27-14-17-4-2-1-3-5-17/h1-11,13,15H,12,14H2,(H,26,28)(H,27,29)(H,30,31)