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

Systemtic Name: 4-[[4-oxidanylidene-6-(pyrrol-1-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-(pyrrol-1-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[oxo-(1-pyrrolylmethylamino)methyl]-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-(pyrrol-1-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-(pyrrol-1-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O4/c27-21-18(11-15-3-5-16(6-4-15)23(29)30)13-24-20-8-7-17(12-19(20)21)22(28)25-14-26-9-1-2-10-26/h1-10,12-13H,11,14H2,(H,24,27)(H,25,28)(H,29,30)