[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenoxyethanoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenoxyethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H20N2O4/c1-16(26-19(23)15-25-18-11-6-3-7-12-18)20(24)22(14-8-13-21)17-9-4-2-5-10-17/h2-7,9-12,16H,8,14-15H2,1H3