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

Systemtic Name: 2-[2-[(4-chlorophenyl)-cyclohexyl-carbamoyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[(4-chlorophenyl)-cyclohexyl-carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-[(4-chloro-N-cyclohexylanilino)-oxomethyl]-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[(4-chlorophenyl)-cyclohexylcarbamoyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[(4-chlorophenyl)-cyclohexyl-carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C36H35ClN4O3 MolecularWeight: 607.1411

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C(=O)N(C6CCCCC6)C7=CC=C(C=C7)Cl

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C(=O)N(C6CCCCC6)C7=CC=C(C=C7)Cl

InChI

InChI=1S/C36H35ClN4O3/c37-26-14-16-29(17-15-26)40(27-7-3-1-4-8-27)35(42)31-19-11-23-21-24(12-18-30(23)38-31)34-39-32-22-25(36(43)44)13-20-33(32)41(34)28-9-5-2-6-10-28/h11-22,27-28H,1-10H2,(H,43,44)