ethyl (E)-3-[4-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-oxoethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-(piperonyloylamino)acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H20N2O6/c1-2-27-20(25)10-5-14-3-7-16(8-4-14)23-19(24)12-22-21(26)15-6-9-17-18(11-15)29-13-28-17/h3-11H,2,12-13H2,1H3,(H,22,26)(H,23,24)/b10-5+