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

Systemtic Name: 4-[[4-oxidanylidene-6-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-(4-pyridylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[oxo-(pyridin-4-ylmethylamino)methyl]-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-(4-pyridylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Formula: C24H19N3O4 MolecularWeight: 413.42536

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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=NC=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O4/c28-22-19(11-15-1-3-17(4-2-15)24(30)31)14-26-21-6-5-18(12-20(21)22)23(29)27-13-16-7-9-25-10-8-16/h1-10,12,14H,11,13H2,(H,26,28)(H,27,29)(H,30,31)