methyl 4-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-4-(phenethylamino)butanoate

Systemtic Name: methyl 4-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-4-(phenethylamino)butanoate Openeye Name: methyl 4-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-4-(phenethylamino)butanoate CAS Name: 4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(phenethylamino)butanoic acid methyl ester IUPAC Name: methyl 4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(phenethylamino)butanoate Traditional Name: 4-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-4-(phenethylamino)butyric acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(CCC(=O)OC)NCCC2=CC=CC=C2)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=C(CCC(=O)OC)NCCC2=CC=CC=C2)C(=O)C1)C

InChI

InChI=1S/C21H27NO4/c1-21(2)13-17(23)20(18(24)14-21)16(9-10-19(25)26-3)22-12-11-15-7-5-4-6-8-15/h4-8,22H,9-14H2,1-3H3