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

Systemtic Name: 2-[3-[[(4-tert-butylphenyl)amino]methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[(4-tert-butylanilino)methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[(4-tert-butylanilino)methyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[(4-tert-butylanilino)methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[(4-tert-butylanilino)methyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C31H35N3O2 MolecularWeight: 481.6285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NCC2=CC=CC(=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NCC2=CC=CC(=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O

InChI

InChI=1S/C31H35N3O2/c1-31(2,3)24-13-15-25(16-14-24)32-20-21-8-7-9-22(18-21)29-33-27-19-23(30(35)36)12-17-28(27)34(29)26-10-5-4-6-11-26/h7-9,12-19,26,32H,4-6,10-11,20H2,1-3H3,(H,35,36)