2-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[[(4-tert-butylbenzyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C32H37N3O2 MolecularWeight: 495.65508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNCC2=CC=CC(=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNCC2=CC=CC(=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

InChI

InChI=1S/C32H37N3O2/c1-32(2,3)26-15-12-22(13-16-26)20-33-21-23-8-7-9-24(18-23)30-34-28-19-25(31(36)37)14-17-29(28)35(30)27-10-5-4-6-11-27/h7-9,12-19,27,33H,4-6,10-11,20-21H2,1-3H3,(H,36,37)