1-cyclohexyl-2-[3-[[(phenylmethyl)amino]methyl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[3-[[(phenylmethyl)amino]methyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[(benzylamino)methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[[(phenylmethyl)amino]methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[(benzylamino)methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[(benzylamino)methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C28H29N3O2 MolecularWeight: 439.54876

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)CNCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)CNCC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2/c32-28(33)23-14-15-26-25(17-23)30-27(31(26)24-12-5-2-6-13-24)22-11-7-10-21(16-22)19-29-18-20-8-3-1-4-9-20/h1,3-4,7-11,14-17,24,29H,2,5-6,12-13,18-19H2,(H,32,33)