methyl (3S,4S)-4-(4-fluorophenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: methyl (3S,4S)-4-(4-fluorophenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: methyl (3S,4S)-4-(4-fluorophenyl)-6-oxo-piperidine-3-carboxylate CAS Name: (3S,4S)-4-(4-fluorophenyl)-6-oxo-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (3S,4S)-4-(4-fluorophenyl)-6-keto-nipecotic acid methyl ester Formula: C13H14FNO3 MolecularWeight: 251.253563

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CNC(=O)CC1C2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)[C@@H]1CNC(=O)C[C@@H]1C2=CC=C(C=C2)F

InChI

InChI=1S/C13H14FNO3/c1-18-13(17)11-7-15-12(16)6-10(11)8-2-4-9(14)5-3-8/h2-5,10-11H,6-7H2,1H3,(H,15,16)/t10-,11-/m1/s1