[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c1-24-15-6-5-14(11-16(15)25-2)12-18(23)26-13-17(22)21(9-3-7-19)10-4-8-20/h5-6,11H,3-4,9-10,12-13H2,1-2H3