2-[2-[5-carboxy-2-(4-methoxyphenyl)phenyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[5-carboxy-2-(4-methoxyphenyl)phenyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[5-carboxy-2-(4-methoxyphenyl)phenyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-[5-carboxy-2-(4-methoxyphenyl)phenyl]-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[5-carboxy-2-(4-methoxyphenyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[5-carboxy-2-(4-methoxyphenyl)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=C(C=C(C=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=C(C=C(C=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/c1-45-28-13-7-22(8-14-28)29-15-9-25(36(41)42)20-30(29)32-17-10-23-19-24(11-16-31(23)38-32)35-39-33-21-26(37(43)44)12-18-34(33)40(35)27-5-3-2-4-6-27/h7-21,27H,2-6H2,1H3,(H,41,42)(H,43,44)