diethyl (1S,2S,3R)-3-(4-fluorophenyl)-4-oxidanylidene-cyclohexane-1,2-dicarboxylate

Systemtic Name: diethyl (1S,2S,3R)-3-(4-fluorophenyl)-4-oxidanylidene-cyclohexane-1,2-dicarboxylate Openeye Name: diethyl (1S,2S,3R)-3-(4-fluorophenyl)-4-oxo-cyclohexane-1,2-dicarboxylate CAS Name: (1S,2S,3R)-3-(4-fluorophenyl)-4-oxocyclohexane-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2S,3R)-3-(4-fluorophenyl)-4-oxocyclohexane-1,2-dicarboxylate Traditional Name: (1S,2S,3R)-3-(4-fluorophenyl)-4-keto-cyclohexane-1,2-dicarboxylic acid diethyl ester Formula: C18H21FO5 MolecularWeight: 336.354743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(=O)C(C1C(=O)OCC)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)[C@H]1CCC(=O)[C@H]([C@@H]1C(=O)OCC)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H21FO5/c1-3-23-17(21)13-9-10-14(20)15(16(13)18(22)24-4-2)11-5-7-12(19)8-6-11/h5-8,13,15-16H,3-4,9-10H2,1-2H3/t13-,15+,16+/m0/s1