2-[2-[(4-chlorophenyl)-methyl-carbamoyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[(4-chlorophenyl)-methyl-carbamoyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[(4-chlorophenyl)-methyl-carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-[(4-chloro-N-methylanilino)-oxomethyl]-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[(4-chlorophenyl)-methylcarbamoyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[(4-chlorophenyl)-methyl-carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C31H27ClN4O3 MolecularWeight: 539.02408

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)Cl)C(=O)C2=NC3=C(C=C2)C=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)Cl)C(=O)C2=NC3=C(C=C2)C=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

InChI

InChI=1S/C31H27ClN4O3/c1-35(23-12-10-22(32)11-13-23)30(37)26-15-7-19-17-20(8-14-25(19)33-26)29-34-27-18-21(31(38)39)9-16-28(27)36(29)24-5-3-2-4-6-24/h7-18,24H,2-6H2,1H3,(H,38,39)