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

Systemtic Name: 2-[2-[(4-chlorophenyl)-propan-2-yl-carbamoyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[(4-chlorophenyl)-isopropyl-carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-[(4-chloro-N-propan-2-ylanilino)-oxomethyl]-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[(4-chlorophenyl)-propan-2-ylcarbamoyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[(4-chlorophenyl)-isopropyl-carbamoyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C33H31ClN4O3 MolecularWeight: 567.07724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(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

CC(C)N(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/C33H31ClN4O3/c1-20(2)37(26-13-11-24(34)12-14-26)32(39)28-16-8-21-18-22(9-15-27(21)35-28)31-36-29-19-23(33(40)41)10-17-30(29)38(31)25-6-4-3-5-7-25/h8-20,25H,3-7H2,1-2H3,(H,40,41)