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

Systemtic Name: diethyl (1S,2S,3R,4S)-3-(4-fluorophenyl)-4-oxidanyl-cyclohexane-1,2-dicarboxylate Openeye Name: diethyl (1S,2S,3R,4S)-3-(4-fluorophenyl)-4-hydroxy-cyclohexane-1,2-dicarboxylate CAS Name: (1S,2S,3R,4S)-3-(4-fluorophenyl)-4-hydroxycyclohexane-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2S,3R,4S)-3-(4-fluorophenyl)-4-hydroxycyclohexane-1,2-dicarboxylate Traditional Name: (1S,2S,3R,4S)-3-(4-fluorophenyl)-4-hydroxy-cyclohexane-1,2-dicarboxylic acid diethyl ester Formula: C18H23FO5 MolecularWeight: 338.370623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23FO5/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/h5-8,13-16,20H,3-4,9-10H2,1-2H3/t13-,14-,15+,16+/m0/s1