2-[4-[2-(4-bromophenyl)ethylcarbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[2-(4-bromophenyl)ethylcarbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[2-(4-bromophenyl)ethylcarbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[2-(4-bromophenyl)ethylamino]-oxomethyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[2-(4-bromophenyl)ethylcarbamoyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[2-(4-bromophenyl)ethylcarbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C29H28BrN3O3 MolecularWeight: 546.45492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28BrN3O3/c30-23-13-6-19(7-14-23)16-17-31-28(34)21-10-8-20(9-11-21)27-32-25-18-22(29(35)36)12-15-26(25)33(27)24-4-2-1-3-5-24/h6-15,18,24H,1-5,16-17H2,(H,31,34)(H,35,36)