4-[4-[[3-cyclohexyl-1-(4-methylphenyl)propoxy]methyl]-2-methyl-phenyl]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[4-[[3-cyclohexyl-1-(4-methylphenyl)propoxy]methyl]-2-methyl-phenyl]-2-fluoranyl-benzoic acid Openeye Name: 4-[4-[[3-cyclohexyl-1-(p-tolyl)propoxy]methyl]-2-methyl-phenyl]-2-fluoro-benzoic acid CAS Name: 4-[4-[[3-cyclohexyl-1-(4-methylphenyl)propoxy]methyl]-2-methylphenyl]-2-fluorobenzoic acid IUPAC Name: 4-[4-[[3-cyclohexyl-1-(4-methylphenyl)propoxy]methyl]-2-methylphenyl]-2-fluorobenzoic acid Traditional Name: 4-[4-[[3-cyclohexyl-1-(p-tolyl)propoxy]methyl]-2-methyl-phenyl]-2-fluoro-benzoic acid Formula: C31H35FO3 MolecularWeight: 474.606203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCC2CCCCC2)OCC3=CC(=C(C=C3)C4=CC(=C(C=C4)C(=O)O)F)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CCC2CCCCC2)OCC3=CC(=C(C=C3)C4=CC(=C(C=C4)C(=O)O)F)C

InChI

InChI=1S/C31H35FO3/c1-21-8-12-25(13-9-21)30(17-11-23-6-4-3-5-7-23)35-20-24-10-15-27(22(2)18-24)26-14-16-28(31(33)34)29(32)19-26/h8-10,12-16,18-19,23,30H,3-7,11,17,20H2,1-2H3,(H,33,34)