(3R)-1-[(2S)-1-oxidanylidene-1-(4-propoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-[(2S)-1-oxidanylidene-1-(4-propoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[(1S)-1-methyl-2-oxo-2-(4-propoxyphenyl)ethyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[(2S)-1-oxo-1-(4-propoxyphenyl)propan-2-yl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[(2S)-1-oxo-1-(4-propoxyphenyl)propan-2-yl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[(1S)-2-keto-1-methyl-2-(4-propoxyphenyl)ethyl]nipecotic acid Formula: C18H25NO4 MolecularWeight: 319.3954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(C)N2CCCC(C2)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)[C@H](C)N2CCC[C@H](C2)C(=O)O

InChI

InChI=1S/C18H25NO4/c1-3-11-23-16-8-6-14(7-9-16)17(20)13(2)19-10-4-5-15(12-19)18(21)22/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,21,22)/t13-,15+/m0/s1