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

Systemtic Name: 4-[[6-(imidazol-1-ylmethylcarbamoyl)-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(imidazol-1-ylmethylcarbamoyl)-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[(1-imidazolylmethylamino)-oxomethyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(imidazol-1-ylmethylcarbamoyl)-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(imidazol-1-ylmethylcarbamoyl)-4-keto-1H-quinolin-3-yl]methyl]benzoic acid Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCN4C=CN=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCN4C=CN=C4)C(=O)O

InChI

InChI=1S/C22H18N4O4/c27-20-17(9-14-1-3-15(4-2-14)22(29)30)11-24-19-6-5-16(10-18(19)20)21(28)25-13-26-8-7-23-12-26/h1-8,10-12H,9,13H2,(H,24,27)(H,25,28)(H,29,30)