methyl (E,2R)-4-(4-fluorophenyl)-2-oxidanyl-2-[(1S)-2-oxidanylidenecyclohexyl]but-3-enoate

Systemtic Name: methyl (E,2R)-4-(4-fluorophenyl)-2-oxidanyl-2-[(1S)-2-oxidanylidenecyclohexyl]but-3-enoate Openeye Name: methyl (E,2R)-4-(4-fluorophenyl)-2-hydroxy-2-[(1S)-2-oxocyclohexyl]but-3-enoate CAS Name: (E,2R)-4-(4-fluorophenyl)-2-hydroxy-2-[(1S)-2-oxocyclohexyl]-3-butenoic acid methyl ester IUPAC Name: methyl (E,2R)-4-(4-fluorophenyl)-2-hydroxy-2-[(1S)-2-oxocyclohexyl]but-3-enoate Traditional Name: (E,2R)-4-(4-fluorophenyl)-2-hydroxy-2-[(1S)-2-ketocyclohexyl]but-3-enoic acid methyl ester Formula: C17H19FO4 MolecularWeight: 306.328763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=CC1=CC=C(C=C1)F)(C2CCCCC2=O)O

Isomeric SMILES

COC(=O)[C@@](/C=C/C1=CC=C(C=C1)F)([C@@H]2CCCCC2=O)O

InChI

InChI=1S/C17H19FO4/c1-22-16(20)17(21,14-4-2-3-5-15(14)19)11-10-12-6-8-13(18)9-7-12/h6-11,14,21H,2-5H2,1H3/b11-10+/t14-,17-/m1/s1