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

Systemtic Name: 2-[3-[[(4-tert-butylphenyl)methyl-(4-methoxyphenyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[[N-[(4-tert-butylphenyl)methyl]-4-methoxy-anilino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[[N-[(4-tert-butylphenyl)methyl]-4-methoxyanilino]methyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[[N-[(4-tert-butylphenyl)methyl]-4-methoxyanilino]methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[(N-(4-tert-butylbenzyl)-4-methoxy-anilino)methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C39H43N3O3 MolecularWeight: 601.77702

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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=C(C=C6)OC

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=C(C=C6)OC

InChI

InChI=1S/C39H43N3O3/c1-39(2,3)31-16-13-27(14-17-31)25-41(32-18-20-34(45-4)21-19-32)26-28-9-8-10-29(23-28)37-40-35-24-30(38(43)44)15-22-36(35)42(37)33-11-6-5-7-12-33/h8-10,13-24,33H,5-7,11-12,25-26H2,1-4H3,(H,43,44)