(2S,3R)-2-(4-fluorophenyl)-1-(2-methylpropyl)-6-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: (2S,3R)-2-(4-fluorophenyl)-1-(2-methylpropyl)-6-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: (2S,3R)-2-(4-fluorophenyl)-1-isobutyl-6-oxo-piperidine-3-carboxylic acid CAS Name: (2S,3R)-2-(4-fluorophenyl)-1-(2-methylpropyl)-6-oxo-3-piperidinecarboxylic acid IUPAC Name: (2S,3R)-2-(4-fluorophenyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxylic acid Traditional Name: (2S,3R)-2-(4-fluorophenyl)-1-isobutyl-6-keto-nipecotic acid Formula: C16H20FNO3 MolecularWeight: 293.333303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C(CCC1=O)C(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CN1[C@@H]([C@@H](CCC1=O)C(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H20FNO3/c1-10(2)9-18-14(19)8-7-13(16(20)21)15(18)11-3-5-12(17)6-4-11/h3-6,10,13,15H,7-9H2,1-2H3,(H,20,21)/t13-,15-/m1/s1