4-[[6-(1H-indol-5-ylmethylcarbamoyl)-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-(1H-indol-5-ylmethylcarbamoyl)-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(1H-indol-5-ylmethylcarbamoyl)-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[(1H-indol-5-ylmethylamino)-oxomethyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(1H-indol-5-ylmethylcarbamoyl)-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(1H-indol-5-ylmethylcarbamoyl)-4-keto-1H-quinolin-3-yl]methyl]benzoic acid Formula: C27H21N3O4 MolecularWeight: 451.47334

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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=CC5=C(C=C4)NC=C5)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)NC=C5)C(=O)O

InChI

InChI=1S/C27H21N3O4/c31-25-21(11-16-1-4-18(5-2-16)27(33)34)15-29-24-8-6-20(13-22(24)25)26(32)30-14-17-3-7-23-19(12-17)9-10-28-23/h1-10,12-13,15,28H,11,14H2,(H,29,31)(H,30,32)(H,33,34)