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

Systemtic Name: 1-[4-tert-butyl-2-(4-phenylmethoxyphenyl)cyclohexyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[2-(4-benzyloxyphenyl)-4-tert-butyl-cyclohexyl]benzimidazole-5-carboxylic acid CAS Name: 1-[4-tert-butyl-2-(4-phenylmethoxyphenyl)cyclohexyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[4-tert-butyl-2-(4-phenylmethoxyphenyl)cyclohexyl]benzimidazole-5-carboxylic acid Traditional Name: 1-[2-(4-benzoxyphenyl)-4-tert-butyl-cyclohexyl]benzimidazole-5-carboxylic acid Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(C(C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)N4C=NC5=C4C=CC(=C5)C(=O)O

Isomeric SMILES

CC(C)(C)C1CCC(C(C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)N4C=NC5=C4C=CC(=C5)C(=O)O

InChI

InChI=1S/C31H34N2O3/c1-31(2,3)24-12-16-28(33-20-32-27-17-23(30(34)35)11-15-29(27)33)26(18-24)22-9-13-25(14-10-22)36-19-21-7-5-4-6-8-21/h4-11,13-15,17,20,24,26,28H,12,16,18-19H2,1-3H3,(H,34,35)