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

Systemtic Name: 2-[4-[[(4-tert-butylphenyl)-(phenylmethyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[(N-benzyl-4-tert-butyl-anilino)methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[(4-tert-butyl-N-(phenylmethyl)anilino)methyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[(N-benzyl-4-tert-butylanilino)methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[(N-benzyl-4-tert-butyl-anilino)methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C38H41N3O2 MolecularWeight: 571.75104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

InChI

InChI=1S/C38H41N3O2/c1-38(2,3)31-19-21-32(22-20-31)40(25-27-10-6-4-7-11-27)26-28-14-16-29(17-15-28)36-39-34-24-30(37(42)43)18-23-35(34)41(36)33-12-8-5-9-13-33/h4,6-7,10-11,14-24,33H,5,8-9,12-13,25-26H2,1-3H3,(H,42,43)