1-[4-methoxy-2-(4-phenylmethoxyphenyl)cyclohexyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-[4-methoxy-2-(4-phenylmethoxyphenyl)cyclohexyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[2-(4-benzyloxyphenyl)-4-methoxy-cyclohexyl]benzimidazole-5-carboxylic acid CAS Name: 1-[4-methoxy-2-(4-phenylmethoxyphenyl)cyclohexyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[4-methoxy-2-(4-phenylmethoxyphenyl)cyclohexyl]benzimidazole-5-carboxylic acid Traditional Name: 1-[2-(4-benzoxyphenyl)-4-methoxy-cyclohexyl]benzimidazole-5-carboxylic acid Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(C(C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)N4C=NC5=C4C=CC(=C5)C(=O)O

Isomeric SMILES

COC1CCC(C(C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)N4C=NC5=C4C=CC(=C5)C(=O)O

InChI

InChI=1S/C28H28N2O4/c1-33-23-12-14-26(30-18-29-25-15-21(28(31)32)9-13-27(25)30)24(16-23)20-7-10-22(11-8-20)34-17-19-5-3-2-4-6-19/h2-11,13,15,18,23-24,26H,12,14,16-17H2,1H3,(H,31,32)