[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-pentoxyphenyl)butanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate Traditional Name: 4-(4-amoxyphenyl)-4-keto-butyric acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C25H28N2O5/c1-2-3-7-18-31-22-12-10-20(11-13-22)23(28)14-15-25(30)32-19-24(29)27(17-16-26)21-8-5-4-6-9-21/h4-6,8-13H,2-3,7,14-15,17-19H2,1H3