[(E)-7-(1,3-benzodioxol-5-yl)-1-oxidanylidene-1-piperidin-1-yl-hept-4-en-3-yl] methyl carbonate

Systemtic Name: [(E)-7-(1,3-benzodioxol-5-yl)-1-oxidanylidene-1-piperidin-1-yl-hept-4-en-3-yl] methyl carbonate Openeye Name: [(E)-5-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-(1-piperidyl)ethyl]pent-2-enyl] methyl carbonate CAS Name: carbonic acid [(E)-7-(1,3-benzodioxol-5-yl)-1-oxo-1-(1-piperidinyl)hept-4-en-3-yl] methyl ester IUPAC Name: [(E)-7-(1,3-benzodioxol-5-yl)-1-oxo-1-piperidin-1-ylhept-4-en-3-yl] methyl carbonate Traditional Name: carbonic acid [(E)-5-(1,3-benzodioxol-5-yl)-1-(2-keto-2-piperidino-ethyl)pent-2-enyl] methyl ester Formula: C21H27NO6 MolecularWeight: 389.44218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC(CC(=O)N1CCCCC1)C=CCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)OC(CC(=O)N1CCCCC1)/C=C/CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H27NO6/c1-25-21(24)28-17(14-20(23)22-11-5-2-6-12-22)8-4-3-7-16-9-10-18-19(13-16)27-15-26-18/h4,8-10,13,17H,2-3,5-7,11-12,14-15H2,1H3/b8-4+