[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4,5-trimethoxyphenyl)acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)OCC(=O)NCCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H20N2O6/c1-22-13-9-12(10-14(23-2)17(13)24-3)5-6-16(21)25-11-15(20)19-8-4-7-18/h5-6,9-10H,4,8,11H2,1-3H3,(H,19,20)/b6-5+