[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)NCCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)NCCC#N)OC

InChI

InChI=1S/C16H20N2O5/c1-21-13-6-4-12(10-14(13)22-2)5-7-16(20)23-11-15(19)18-9-3-8-17/h4,6,10H,3,5,7,9,11H2,1-2H3,(H,18,19)