(2S,3R)-2-(4-methoxyphenyl)-6-oxidanylidene-1-propyl-piperidine-3-carboxylate

Systemtic Name: (2S,3R)-2-(4-methoxyphenyl)-6-oxidanylidene-1-propyl-piperidine-3-carboxylate Openeye Name: (2S,3R)-2-(4-methoxyphenyl)-6-oxo-1-propyl-piperidine-3-carboxylate CAS Name: (2S,3R)-2-(4-methoxyphenyl)-6-oxo-1-propyl-3-piperidinecarboxylate IUPAC Name: (2S,3R)-2-(4-methoxyphenyl)-6-oxo-1-propylpiperidine-3-carboxylate Traditional Name: (2S,3R)-6-keto-2-(4-methoxyphenyl)-1-propyl-nipecotate Formula: C16H20NO4- MolecularWeight: 290.3343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(CCC1=O)C(=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-3-10-17-14(18)9-8-13(16(19)20)15(17)11-4-6-12(21-2)7-5-11/h4-7,13,15H,3,8-10H2,1-2H3,(H,19,20)/p-1/t13-,15-/m1/s1