[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5/c1-25-16-11-15(12-17(13-16)26-2)5-6-19(24)27-14-18(23)22(9-3-7-20)10-4-8-21/h11-13H,3-6,9-10,14H2,1-2H3