[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethoxy-4-methyl-benzoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethoxy-4-methyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 3,5-dimethoxy-4-methyl-benzoate CAS Name: 3,5-dimethoxy-4-methylbenzoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3,5-dimethoxy-4-methylbenzoate Traditional Name: 3,5-dimethoxy-4-methyl-benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2)OC

InChI

InChI=1S/C22H24N2O5/c1-15-19(27-3)13-17(14-20(15)28-4)22(26)29-16(2)21(25)24(12-8-11-23)18-9-6-5-7-10-18/h5-7,9-10,13-14,16H,8,12H2,1-4H3