2-[3-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[3-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[[2-(3-chlorophenyl)ethylamino]-oxomethyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C29H28ClN3O3 MolecularWeight: 502.00392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NCCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NCCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H28ClN3O3/c30-23-9-4-6-19(16-23)14-15-31-28(34)21-8-5-7-20(17-21)27-32-25-18-22(29(35)36)12-13-26(25)33(27)24-10-2-1-3-11-24/h4-9,12-13,16-18,24H,1-3,10-11,14-15H2,(H,31,34)(H,35,36)