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

Systemtic Name: 2-[3-[[(4-tert-butylphenyl)methyl-phenyl-amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[[N-[(4-tert-butylphenyl)methyl]anilino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[[N-[(4-tert-butylphenyl)methyl]anilino]methyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[[N-[(4-tert-butylphenyl)methyl]anilino]methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[(N-(4-tert-butylbenzyl)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)CN(CC2=CC=CC(=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O)C6=CC=CC=C6

InChI

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