[(E)-7-(1,3-benzodioxol-5-yl)-1-(2-methylpropylamino)-1-oxidanylidene-hept-4-en-3-yl] methyl carbonate

Systemtic Name: [(E)-7-(1,3-benzodioxol-5-yl)-1-(2-methylpropylamino)-1-oxidanylidene-hept-4-en-3-yl] methyl carbonate Openeye Name: [(E)-5-(1,3-benzodioxol-5-yl)-1-[2-(isobutylamino)-2-oxo-ethyl]pent-2-enyl] methyl carbonate CAS Name: carbonic acid [(E)-7-(1,3-benzodioxol-5-yl)-1-(2-methylpropylamino)-1-oxohept-4-en-3-yl] methyl ester IUPAC Name: [(E)-7-(1,3-benzodioxol-5-yl)-1-(2-methylpropylamino)-1-oxohept-4-en-3-yl] methyl carbonate Traditional Name: carbonic acid [(E)-5-(1,3-benzodioxol-5-yl)-1-[2-(isobutylamino)-2-keto-ethyl]pent-2-enyl] methyl ester Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CC(C=CCCC1=CC2=C(C=C1)OCO2)OC(=O)OC

Isomeric SMILES

CC(C)CNC(=O)CC(/C=C/CCC1=CC2=C(C=C1)OCO2)OC(=O)OC

InChI

InChI=1S/C20H27NO6/c1-14(2)12-21-19(22)11-16(27-20(23)24-3)7-5-4-6-15-8-9-17-18(10-15)26-13-25-17/h5,7-10,14,16H,4,6,11-13H2,1-3H3,(H,21,22)/b7-5+