4-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-21-20(24)16-7-3-15(4-8-16)12-22(2)19(23)10-6-14-5-9-17-18(11-14)26-13-25-17/h3-11H,12-13H2,1-2H3,(H,21,24)/b10-6+