[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenoxy)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenoxy)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-(2-cyanophenoxy)acetate CAS Name: 2-(2-cyanophenoxy)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate Traditional Name: 2-(2-cyanophenoxy)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)COC2=CC=CC=C2C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)COC2=CC=CC=C2C#N)C

InChI

InChI=1S/C22H21N3O4/c1-16-10-17(2)12-19(11-16)25(9-5-8-23)21(26)14-29-22(27)15-28-20-7-4-3-6-18(20)13-24/h3-4,6-7,10-12H,5,9,14-15H2,1-2H3