2-[2-[2-(3-carboxyphenyl)-5-methoxy-phenyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[2-(3-carboxyphenyl)-5-methoxy-phenyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[2-(3-carboxyphenyl)-5-methoxy-phenyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-[2-(3-carboxyphenyl)-5-methoxyphenyl]-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[2-(3-carboxyphenyl)-5-methoxyphenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[2-(3-carboxyphenyl)-5-methoxy-phenyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C37H31N3O5 MolecularWeight: 597.65914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC(=CC=C2)C(=O)O)C3=NC4=C(C=C3)C=C(C=C4)C5=NC6=C(N5C7CCCCC7)C=CC(=C6)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC(=CC=C2)C(=O)O)C3=NC4=C(C=C3)C=C(C=C4)C5=NC6=C(N5C7CCCCC7)C=CC(=C6)C(=O)O

InChI

InChI=1S/C37H31N3O5/c1-45-28-13-14-29(22-6-5-7-25(18-22)36(41)42)30(21-28)32-16-10-23-19-24(11-15-31(23)38-32)35-39-33-20-26(37(43)44)12-17-34(33)40(35)27-8-3-2-4-9-27/h5-7,10-21,27H,2-4,8-9H2,1H3,(H,41,42)(H,43,44)