4-[[6-(2,3-dihydro-1H-indol-5-ylmethylcarbamoyl)-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-(2,3-dihydro-1H-indol-5-ylmethylcarbamoyl)-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(indolin-5-ylmethylcarbamoyl)-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[(2,3-dihydro-1H-indol-5-ylmethylamino)-oxomethyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(2,3-dihydro-1H-indol-5-ylmethylcarbamoyl)-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(indolin-5-ylmethylcarbamoyl)-4-keto-1H-quinolin-3-yl]methyl]benzoic acid Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=C1C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)NC=C(C4=O)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CNC2=C1C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)NC=C(C4=O)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H23N3O4/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/h1-8,12-13,15,28H,9-11,14H2,(H,29,31)(H,30,32)(H,33,34)