(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholino-phenyl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-diethoxy-4-morpholino-phenyl)acrylamide Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C(=CC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/C#N

InChI

InChI=1S/C25H27N3O6/c1-3-31-22-14-20(28-7-9-30-10-8-28)23(32-4-2)13-19(22)27-25(29)18(15-26)11-17-5-6-21-24(12-17)34-16-33-21/h5-6,11-14H,3-4,7-10,16H2,1-2H3,(H,27,29)/b18-11+