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

Systemtic Name: (2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: (2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-piperidine-3-carboxylic acid CAS Name: (2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-3-piperidinecarboxylic acid IUPAC Name: (2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid Traditional Name: (2S,3R)-2-(4-fluorophenyl)-6-keto-1-(2-methoxyethyl)nipecotic acid Formula: C15H18FNO4 MolecularWeight: 295.306123

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(CCC1=O)C(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

COCCN1[C@@H]([C@@H](CCC1=O)C(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H18FNO4/c1-21-9-8-17-13(18)7-6-12(15(19)20)14(17)10-2-4-11(16)5-3-10/h2-5,12,14H,6-9H2,1H3,(H,19,20)/t12-,14-/m1/s1