1-cyclohexyl-2-[3-[4-oxidanylbutyl-(phenylmethyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[3-[4-oxidanylbutyl-(phenylmethyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[benzyl(4-hydroxybutyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[[4-hydroxybutyl-(phenylmethyl)amino]-oxomethyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[benzyl(4-hydroxybutyl)carbamoyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[benzyl(4-hydroxybutyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C32H35N3O4 MolecularWeight: 525.638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)N(CCCCO)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)N(CCCCO)CC5=CC=CC=C5

InChI

InChI=1S/C32H35N3O4/c36-19-8-7-18-34(22-23-10-3-1-4-11-23)31(37)25-13-9-12-24(20-25)30-33-28-21-26(32(38)39)16-17-29(28)35(30)27-14-5-2-6-15-27/h1,3-4,9-13,16-17,20-21,27,36H,2,5-8,14-15,18-19,22H2,(H,38,39)