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

Systemtic Name: 1-cyclohexyl-2-[3-[[(3,4-dimethoxyphenyl)amino]methyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[3-[(3,4-dimethoxyanilino)methyl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[(3,4-dimethoxyanilino)methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[3-[(3,4-dimethoxyanilino)methyl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[3-[(3,4-dimethoxyanilino)methyl]phenyl]benzimidazole-5-carboxylic acid Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NCC2=CC=CC(=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NCC2=CC=CC(=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O)OC

InChI

InChI=1S/C29H31N3O4/c1-35-26-14-12-22(17-27(26)36-2)30-18-19-7-6-8-20(15-19)28-31-24-16-21(29(33)34)11-13-25(24)32(28)23-9-4-3-5-10-23/h6-8,11-17,23,30H,3-5,9-10,18H2,1-2H3,(H,33,34)