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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)butanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C25H28N2O4/c1-2-3-4-5-19-6-10-21(11-7-19)23(28)14-15-25(30)31-18-24(29)27-22-12-8-20(9-13-22)16-17-26/h6-13H,2-5,14-16,18H2,1H3,(H,27,29)