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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethoxyphenyl)-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethoxyphenyl)acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5/c1-21-13-8-12(9-14(10-13)22-2)4-5-16(20)23-11-15(19)18-7-3-6-17/h4-5,8-10H,3,7,11H2,1-2H3,(H,18,19)/b5-4+