1-(4,4-dimethylcyclohexyl)-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid

Systemtic Name: 1-(4,4-dimethylcyclohexyl)-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-1-(4,4-dimethylcyclohexyl)benzimidazole-5-carboxylic acid CAS Name: 1-(4,4-dimethylcyclohexyl)-2-(4-phenylmethoxyphenyl)-5-benzimidazolecarboxylic acid IUPAC Name: 1-(4,4-dimethylcyclohexyl)-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-1-(4,4-dimethylcyclohexyl)benzimidazole-5-carboxylic acid Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1(CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C29H30N2O3/c1-29(2)16-14-23(15-17-29)31-26-13-10-22(28(32)33)18-25(26)30-27(31)21-8-11-24(12-9-21)34-19-20-6-4-3-5-7-20/h3-13,18,23H,14-17,19H2,1-2H3,(H,32,33)