ethyl (3S)-1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[1-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-[2-(2-ketopyrrolidino)acetyl]nipecotic acid ethyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CN2CCCC2=O)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CN2CCCC2=O)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4/c1-2-29-22(28)23(13-6-11-19-9-4-3-5-10-19)14-8-16-25(18-23)21(27)17-24-15-7-12-20(24)26/h3-6,9-11H,2,7-8,12-18H2,1H3/b11-6+/t23-/m1/s1