(3S,4S)-4-(4-fluorophenyl)-6-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: (3S,4S)-4-(4-fluorophenyl)-6-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: (3S,4S)-4-(4-fluorophenyl)-6-oxo-piperidine-3-carboxylic acid CAS Name: (3S,4S)-4-(4-fluorophenyl)-6-oxo-3-piperidinecarboxylic acid IUPAC Name: (3S,4S)-4-(4-fluorophenyl)-6-oxopiperidine-3-carboxylic acid Traditional Name: (3S,4S)-4-(4-fluorophenyl)-6-keto-nipecotic acid Formula: C12H12FNO3 MolecularWeight: 237.226983

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CNC1=O)C(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

C1[C@@H]([C@@H](CNC1=O)C(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H12FNO3/c13-8-3-1-7(2-4-8)9-5-11(15)14-6-10(9)12(16)17/h1-4,9-10H,5-6H2,(H,14,15)(H,16,17)/t9-,10-/m1/s1