[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-2-propenoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C(=CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)/C(=C/C3=CC=CC=C3)/NC(=O)C

InChI

InChI=1S/C22H22N2O6/c1-14(21(26)23-12-17-8-9-19-20(11-17)29-13-28-19)30-22(27)18(24-15(2)25)10-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,23,26)(H,24,25)/b18-10-