methyl 4-[4,4-dimethyl-2-(1-oxidanylbutan-2-ylamino)-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4,4-dimethyl-2-(1-oxidanylbutan-2-ylamino)-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-[1-(hydroxymethyl)propylamino]-4,4-dimethyl-6-oxo-cyclohexen-1-yl]-4-oxo-butanoate CAS Name: 4-[2-(1-hydroxybutan-2-ylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-(1-hydroxybutan-2-ylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[6-keto-4,4-dimethyl-2-(1-methylolpropylamino)cyclohexen-1-yl]butyric acid methyl ester Formula: C17H27NO5 MolecularWeight: 325.39998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C(=O)CC(C1)(C)C)C(=O)CCC(=O)OC

Isomeric SMILES

CCC(CO)NC1=C(C(=O)CC(C1)(C)C)C(=O)CCC(=O)OC

InChI

InChI=1S/C17H27NO5/c1-5-11(10-19)18-12-8-17(2,3)9-14(21)16(12)13(20)6-7-15(22)23-4/h11,18-19H,5-10H2,1-4H3