2-[4-[butyl-(phenylmethyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[butyl-(phenylmethyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[benzyl(butyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[butyl-(phenylmethyl)amino]-oxomethyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[benzyl(butyl)carbamoyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[benzyl(butyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C32H35N3O3 MolecularWeight: 509.6386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

InChI

InChI=1S/C32H35N3O3/c1-2-3-20-34(22-23-10-6-4-7-11-23)31(36)25-16-14-24(15-17-25)30-33-28-21-26(32(37)38)18-19-29(28)35(30)27-12-8-5-9-13-27/h4,6-7,10-11,14-19,21,27H,2-3,5,8-9,12-13,20,22H2,1H3,(H,37,38)