4-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-methyl-phenyl]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-methyl-phenyl]-2-fluoranyl-benzoic acid Openeye Name: 4-[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]-2-methyl-phenyl]-2-fluoro-benzoic acid CAS Name: 4-[4-[[3-cyclohexyl-1-(5-thiazolyl)propoxy]methyl]-2-methylphenyl]-2-fluorobenzoic acid IUPAC Name: 4-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-methylphenyl]-2-fluorobenzoic acid Traditional Name: 4-[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]-2-methyl-phenyl]-2-fluoro-benzoic acid Formula: C27H30FNO3S MolecularWeight: 467.595403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COC(CCC2CCCCC2)C3=CN=CS3)C4=CC(=C(C=C4)C(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)COC(CCC2CCCCC2)C3=CN=CS3)C4=CC(=C(C=C4)C(=O)O)F

InChI

InChI=1S/C27H30FNO3S/c1-18-13-20(7-10-22(18)21-9-11-23(27(30)31)24(28)14-21)16-32-25(26-15-29-17-33-26)12-8-19-5-3-2-4-6-19/h7,9-11,13-15,17,19,25H,2-6,8,12,16H2,1H3,(H,30,31)