[1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)butanoic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-oxo-4-(4-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid [2-(4-cyanoanilino)-2-keto-1-methyl-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)OC(C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4/c1-3-4-5-6-19-7-11-21(12-8-19)23(28)15-16-24(29)31-18(2)25(30)27-22-13-9-20(17-26)10-14-22/h7-14,18H,3-6,15-16H2,1-2H3,(H,27,30)