butyl 4-[3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoylamino]benzoate Openeye Name: butyl 4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]benzoate CAS Name: 4-[[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]benzoate Traditional Name: 4-[3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propanoylamino]benzoic acid butyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=C(NC(=O)C(=C2C)C#N)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=C(NC(=O)C(=C2C)C#N)C

InChI

InChI=1S/C22H25N3O4/c1-4-5-12-29-22(28)16-6-8-17(9-7-16)25-20(26)11-10-18-14(2)19(13-23)21(27)24-15(18)3/h6-9H,4-5,10-12H2,1-3H3,(H,24,27)(H,25,26)