[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)acetate CAS Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate Traditional Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O6/c1-21-12-7-11(8-13(22-2)16(12)23-3)9-15(20)24-10-14(19)18-6-4-5-17/h7-8H,4,6,9-10H2,1-3H3,(H,18,19)