3-fluoranyl-4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-benzoate

Systemtic Name: 3-fluoranyl-4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-benzoate Openeye Name: 3-fluoro-4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]benzoate CAS Name: 3-fluoro-4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzoate IUPAC Name: 3-fluoro-4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzoate Traditional Name: 3-fluoro-4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]benzoate Formula: C17H22FO3- MolecularWeight: 293.353183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=C(C=C(C=C2)C(=O)[O-])F)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC2=C(C=C(C=C2)C(=O)[O-])F)C(C)C

InChI

InChI=1S/C17H23FO3/c1-10(2)13-6-4-11(3)8-16(13)21-15-7-5-12(17(19)20)9-14(15)18/h5,7,9-11,13,16H,4,6,8H2,1-3H3,(H,19,20)/p-1/t11-,13+,16-/m0/s1