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

Systemtic Name: 4-[[4-oxidanylidene-6-(pyridin-3-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-(3-pyridylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[oxo-(3-pyridinylmethylamino)methyl]-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-(pyridin-3-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-(3-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(=CN=C1)CNC(=O)C2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

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

InChI

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