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

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-(4-propoxyphenyl)propan-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[(1S)-1-methyl-2-oxo-2-(4-propoxyphenyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-1-oxo-1-(4-propoxyphenyl)propan-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-1-oxo-1-(4-propoxyphenyl)propan-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(4-propoxyphenyl)ethyl]isonipecotic 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)N2CCC(CC2)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)[C@H](C)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C18H25NO4/c1-3-12-23-16-6-4-14(5-7-16)17(20)13(2)19-10-8-15(9-11-19)18(21)22/h4-7,13,15H,3,8-12H2,1-2H3,(H,21,22)/t13-/m0/s1