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

Systemtic Name: 4-[[6-[(4-cyanophenyl)methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[(4-cyanophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[(4-cyanophenyl)methylamino]-oxomethyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[(4-cyanophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-[(4-cyanobenzyl)carbamoyl]-4-keto-1H-quinolin-3-yl]methyl]benzoic acid Formula: C26H19N3O4 MolecularWeight: 437.44676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C26H19N3O4/c27-13-17-1-3-18(4-2-17)14-29-25(31)20-9-10-23-22(12-20)24(30)21(15-28-23)11-16-5-7-19(8-6-16)26(32)33/h1-10,12,15H,11,14H2,(H,28,30)(H,29,31)(H,32,33)