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

Systemtic Name: (2S,3R)-2-(4-fluorophenyl)-6-oxidanylidene-1-propyl-piperidine-3-carboxylic acid Openeye Name: (2S,3R)-2-(4-fluorophenyl)-6-oxo-1-propyl-piperidine-3-carboxylic acid CAS Name: (2S,3R)-2-(4-fluorophenyl)-6-oxo-1-propyl-3-piperidinecarboxylic acid IUPAC Name: (2S,3R)-2-(4-fluorophenyl)-6-oxo-1-propylpiperidine-3-carboxylic acid Traditional Name: (2S,3R)-2-(4-fluorophenyl)-6-keto-1-propyl-nipecotic acid Formula: C15H18FNO3 MolecularWeight: 279.306723

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(CCC1=O)C(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCN1[C@@H]([C@@H](CCC1=O)C(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H18FNO3/c1-2-9-17-13(18)8-7-12(15(19)20)14(17)10-3-5-11(16)6-4-10/h3-6,12,14H,2,7-9H2,1H3,(H,19,20)/t12-,14-/m1/s1