[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-phenyl-butanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5/c1-2-29-20-11-9-19(10-12-20)25(16-6-15-24)22(27)17-30-23(28)14-13-21(26)18-7-4-3-5-8-18/h3-5,7-12H,2,6,13-14,16-17H2,1H3