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

Systemtic Name: 4-[4-[(3-cyclohexyl-1-naphthalen-2-yl-propoxy)methyl]-2-methyl-phenyl]-2-fluoranyl-benzoic acid Openeye Name: 4-[4-[[3-cyclohexyl-1-(2-naphthyl)propoxy]methyl]-2-methyl-phenyl]-2-fluoro-benzoic acid CAS Name: 4-[4-[[3-cyclohexyl-1-(2-naphthalenyl)propoxy]methyl]-2-methylphenyl]-2-fluorobenzoic acid IUPAC Name: 4-[4-[(3-cyclohexyl-1-naphthalen-2-ylpropoxy)methyl]-2-methylphenyl]-2-fluorobenzoic acid Traditional Name: 4-[4-[[3-cyclohexyl-1-(2-naphthyl)propoxy]methyl]-2-methyl-phenyl]-2-fluoro-benzoic acid Formula: C34H35FO3 MolecularWeight: 510.638303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COC(CCC2CCCCC2)C3=CC4=CC=CC=C4C=C3)C5=CC(=C(C=C5)C(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)COC(CCC2CCCCC2)C3=CC4=CC=CC=C4C=C3)C5=CC(=C(C=C5)C(=O)O)F

InChI

InChI=1S/C34H35FO3/c1-23-19-25(11-16-30(23)28-15-17-31(34(36)37)32(35)21-28)22-38-33(18-12-24-7-3-2-4-8-24)29-14-13-26-9-5-6-10-27(26)20-29/h5-6,9-11,13-17,19-21,24,33H,2-4,7-8,12,18,22H2,1H3,(H,36,37)