[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenoxy)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenoxy)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] 2-(2-methylphenoxy)acetate CAS Name: 2-(2-methylphenoxy)acetic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate Traditional Name: 2-(2-methylphenoxy)acetic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-16-8-10-18(11-9-16)23(13-5-12-22)20(24)14-27-21(25)15-26-19-7-4-3-6-17(19)2/h3-4,6-11H,5,13-15H2,1-2H3