[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-p-phenetyl-butyric acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C24H26N2O5/c1-3-30-21-12-10-19(11-13-21)22(27)14-15-23(28)31-18(2)24(29)26(17-7-16-25)20-8-5-4-6-9-20/h4-6,8-13,18H,3,7,14-15,17H2,1-2H3