methyl N-(2-butanoyl-5,5-dimethyl-3-oxidanylidene-4-phenyl-cyclohexen-1-yl)-N-methyl-carbamate

Systemtic Name: methyl N-(2-butanoyl-5,5-dimethyl-3-oxidanylidene-4-phenyl-cyclohexen-1-yl)-N-methyl-carbamate Openeye Name: methyl N-(2-butanoyl-5,5-dimethyl-3-oxo-4-phenyl-cyclohexen-1-yl)-N-methyl-carbamate CAS Name: N-[5,5-dimethyl-3-oxo-2-(1-oxobutyl)-4-phenyl-1-cyclohexenyl]-N-methylcarbamic acid methyl ester IUPAC Name: methyl N-(2-butanoyl-5,5-dimethyl-3-oxo-4-phenylcyclohexen-1-yl)-N-methylcarbamate Traditional Name: N-(2-butyryl-3-keto-5,5-dimethyl-4-phenyl-cyclohexen-1-yl)-N-methyl-carbamic acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(C(C1=O)C2=CC=CC=C2)(C)C)N(C)C(=O)OC

Isomeric SMILES

CCCC(=O)C1=C(CC(C(C1=O)C2=CC=CC=C2)(C)C)N(C)C(=O)OC

InChI

InChI=1S/C21H27NO4/c1-6-10-16(23)17-15(22(4)20(25)26-5)13-21(2,3)18(19(17)24)14-11-8-7-9-12-14/h7-9,11-12,18H,6,10,13H2,1-5H3