2-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]quinolin-6-yl]-1-piperidin-4-yl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]quinolin-6-yl]-1-piperidin-4-yl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]-6-quinolyl]-1-(4-piperidyl)benzimidazole-5-carboxylic acid CAS Name: 2-[2-[2-(4-chlorophenyl)-5-methoxyphenyl]-6-quinolinyl]-1-(4-piperidinyl)-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[2-(4-chlorophenyl)-5-methoxyphenyl]quinolin-6-yl]-1-piperidin-4-ylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]-6-quinolyl]-1-(4-piperidyl)benzimidazole-5-carboxylic acid Formula: C35H29ClN4O3 MolecularWeight: 589.08276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)C3=NC4=C(C=C3)C=C(C=C4)C5=NC6=C(N5C7CCNCC7)C=CC(=C6)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)C3=NC4=C(C=C3)C=C(C=C4)C5=NC6=C(N5C7CCNCC7)C=CC(=C6)C(=O)O

InChI

InChI=1S/C35H29ClN4O3/c1-43-27-9-10-28(21-2-7-25(36)8-3-21)29(20-27)31-12-4-22-18-23(5-11-30(22)38-31)34-39-32-19-24(35(41)42)6-13-33(32)40(34)26-14-16-37-17-15-26/h2-13,18-20,26,37H,14-17H2,1H3,(H,41,42)