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

Systemtic Name: 2-[4-[[(4-tert-butylphenyl)methyl-pyridin-3-yl-amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[(4-tert-butylphenyl)methyl-(3-pyridyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[(4-tert-butylphenyl)methyl-(3-pyridinyl)amino]methyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[(4-tert-butylphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[[(4-tert-butylbenzyl)-(3-pyridyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C37H40N4O2 MolecularWeight: 572.7391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H40N4O2/c1-37(2,3)30-18-13-27(14-19-30)25-40(32-10-7-21-38-23-32)24-26-11-15-28(16-12-26)35-39-33-22-29(36(42)43)17-20-34(33)41(35)31-8-5-4-6-9-31/h7,10-23,31H,4-6,8-9,24-25H2,1-3H3,(H,42,43)