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

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-phenylphenoxy)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-(2-phenylphenoxy)acetate CAS Name: 2-(2-phenylphenoxy)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-phenylphenoxy)acetate Traditional Name: 2-(2-phenylphenoxy)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)COC2=CC=CC=C2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)COC2=CC=CC=C2C3=CC=CC=C3)C

InChI

InChI=1S/C27H26N2O4/c1-20-15-21(2)17-23(16-20)29(14-8-13-28)26(30)18-33-27(31)19-32-25-12-7-6-11-24(25)22-9-4-3-5-10-22/h3-7,9-12,15-17H,8,14,18-19H2,1-2H3