3-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-(2-keto-3H-benzimidazol-1-yl)piperidino]methyl]-2-phenyl-cinchoninic acid Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=C(C5=CC=CC=C5N=C4C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=C(C5=CC=CC=C5N=C4C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C29H26N4O3/c34-28(35)26-21-10-4-5-11-23(21)30-27(19-8-2-1-3-9-19)22(26)18-32-16-14-20(15-17-32)33-25-13-7-6-12-24(25)31-29(33)36/h1-13,20H,14-18H2,(H,31,36)(H,34,35)