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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(2,5-dimethylphenoxy)propanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C19H23N3O4/c1-15-5-6-16(2)17(13-15)25-12-7-19(24)26-14-18(23)22(10-3-8-20)11-4-9-21/h5-6,13H,3-4,7,10-12,14H2,1-2H3