2-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]quinolin-6-yl]-1-pentan-3-yl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]quinolin-6-yl]-1-pentan-3-yl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]-6-quinolyl]-1-(1-ethylpropyl)benzimidazole-5-carboxylic acid CAS Name: 2-[2-[2-(4-chlorophenyl)-5-methoxyphenyl]-6-quinolinyl]-1-pentan-3-yl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[2-(4-chlorophenyl)-5-methoxyphenyl]quinolin-6-yl]-1-pentan-3-ylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]-6-quinolyl]-1-(1-ethylpropyl)benzimidazole-5-carboxylic acid Formula: C35H30ClN3O3 MolecularWeight: 576.084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C2=C(C=C(C=C2)C(=O)O)N=C1C3=CC4=C(C=C3)N=C(C=C4)C5=C(C=CC(=C5)OC)C6=CC=C(C=C6)Cl

Isomeric SMILES

CCC(CC)N1C2=C(C=C(C=C2)C(=O)O)N=C1C3=CC4=C(C=C3)N=C(C=C4)C5=C(C=CC(=C5)OC)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C35H30ClN3O3/c1-4-26(5-2)39-33-17-10-24(35(40)41)19-32(33)38-34(39)23-9-15-30-22(18-23)8-16-31(37-30)29-20-27(42-3)13-14-28(29)21-6-11-25(36)12-7-21/h6-20,26H,4-5H2,1-3H3,(H,40,41)