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

Systemtic Name: methyl 4-[4,4-dimethyl-6-oxidanylidene-2-(phenethylamino)cyclohexen-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4,4-dimethyl-6-oxo-2-(phenethylamino)cyclohexen-1-yl]-4-oxo-butanoate CAS Name: 4-[4,4-dimethyl-6-oxo-2-(phenethylamino)-1-cyclohexenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4,4-dimethyl-6-oxo-2-(phenethylamino)cyclohexen-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[6-keto-4,4-dimethyl-2-(phenethylamino)cyclohexen-1-yl]butyric acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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