methyl 4-oxidanylidene-4-(6-oxidanylidene-2-phenylazanyl-cyclohexen-1-yl)butanoate

Systemtic Name: methyl 4-oxidanylidene-4-(6-oxidanylidene-2-phenylazanyl-cyclohexen-1-yl)butanoate Openeye Name: methyl 4-(2-anilino-6-oxo-cyclohexen-1-yl)-4-oxo-butanoate CAS Name: 4-(2-anilino-6-oxo-1-cyclohexenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(2-anilino-6-oxocyclohexen-1-yl)-4-oxobutanoate Traditional Name: 4-(2-anilino-6-keto-cyclohexen-1-yl)-4-keto-butyric acid methyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=C(CCCC1=O)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)C1=C(CCCC1=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H19NO4/c1-22-16(21)11-10-15(20)17-13(8-5-9-14(17)19)18-12-6-3-2-4-7-12/h2-4,6-7,18H,5,8-11H2,1H3