4-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]quinolin-6-yl]-3-cyclohexyl-benzoic acid

Systemtic Name: 4-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]quinolin-6-yl]-3-cyclohexyl-benzoic acid Openeye Name: 4-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]-6-quinolyl]-3-cyclohexyl-benzoic acid CAS Name: 4-[2-[2-(4-chlorophenyl)-5-methoxyphenyl]-6-quinolinyl]-3-cyclohexylbenzoic acid IUPAC Name: 4-[2-[2-(4-chlorophenyl)-5-methoxyphenyl]quinolin-6-yl]-3-cyclohexylbenzoic acid Traditional Name: 4-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]-6-quinolyl]-3-cyclohexyl-benzoic acid Formula: C35H30ClNO3 MolecularWeight: 548.0706

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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=C(C=C(C=C5)C(=O)O)C6CCCCC6

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)C3=NC4=C(C=C3)C=C(C=C4)C5=C(C=C(C=C5)C(=O)O)C6CCCCC6

InChI

InChI=1S/C35H30ClNO3/c1-40-28-14-16-29(23-7-12-27(36)13-8-23)32(21-28)34-18-11-25-19-24(10-17-33(25)37-34)30-15-9-26(35(38)39)20-31(30)22-5-3-2-4-6-22/h7-22H,2-6H2,1H3,(H,38,39)