methyl 3-butanoyl-6,6-dimethyl-2-oxidanylidene-4-(pyridin-4-ylamino)cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 3-butanoyl-6,6-dimethyl-2-oxidanylidene-4-(pyridin-4-ylamino)cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-(4-pyridylamino)cyclohex-3-ene-1-carboxylate CAS Name: 6,6-dimethyl-2-oxo-3-(1-oxobutyl)-4-(pyridin-4-ylamino)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-(pyridin-4-ylamino)cyclohex-3-ene-1-carboxylate Traditional Name: 3-butyryl-2-keto-6,6-dimethyl-4-(4-pyridylamino)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C19H24N2O4 MolecularWeight: 344.40486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=NC=C2

Isomeric SMILES

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=NC=C2

InChI

InChI=1S/C19H24N2O4/c1-5-6-14(22)15-13(21-12-7-9-20-10-8-12)11-19(2,3)16(17(15)23)18(24)25-4/h7-10,16H,5-6,11H2,1-4H3,(H,20,21)