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

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

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C25H28N2O5/c1-3-4-5-16-31-22-12-8-20(9-13-22)23(28)14-15-24(29)32-18(2)25(30)27-21-10-6-19(17-26)7-11-21/h6-13,18H,3-5,14-16H2,1-2H3,(H,27,30)