(3S)-1-[2-(2-ethoxyphenyl)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-(2-ethoxyphenyl)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(2-ethoxyphenyl)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(2-ethoxyphenyl)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2-keto-2-o-phenetyl-ethyl)nipecotic acid Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)CN2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-2-21-15-8-4-3-7-13(15)14(18)11-17-9-5-6-12(10-17)16(19)20/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,20)/t12-/m0/s1