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

Systemtic Name: 4-[4-[(3-cyclohexyl-1-phenyl-propoxy)methyl]-2-methyl-phenyl]-2-fluoranyl-benzoic acid Openeye Name: 4-[4-[(3-cyclohexyl-1-phenyl-propoxy)methyl]-2-methyl-phenyl]-2-fluoro-benzoic acid CAS Name: 4-[4-[(3-cyclohexyl-1-phenylpropoxy)methyl]-2-methylphenyl]-2-fluorobenzoic acid IUPAC Name: 4-[4-[(3-cyclohexyl-1-phenylpropoxy)methyl]-2-methylphenyl]-2-fluorobenzoic acid Traditional Name: 4-[4-[(3-cyclohexyl-1-phenyl-propoxy)methyl]-2-methyl-phenyl]-2-fluoro-benzoic acid Formula: C30H33FO3 MolecularWeight: 460.579623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33FO3/c1-21-18-23(12-15-26(21)25-14-16-27(30(32)33)28(31)19-25)20-34-29(24-10-6-3-7-11-24)17-13-22-8-4-2-5-9-22/h3,6-7,10-12,14-16,18-19,22,29H,2,4-5,8-9,13,17,20H2,1H3,(H,32,33)