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

Systemtic Name: methyl 4-[4,4-dimethyl-2-[(4-methylphenyl)amino]-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4,4-dimethyl-2-(4-methylanilino)-6-oxo-cyclohexen-1-yl]-4-oxo-butanoate CAS Name: 4-[4,4-dimethyl-2-(4-methylanilino)-6-oxo-1-cyclohexenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4,4-dimethyl-2-(4-methylanilino)-6-oxocyclohexen-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[6-keto-4,4-dimethyl-2-(p-toluidino)cyclohexen-1-yl]butyric acid methyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=O)CC(C2)(C)C)C(=O)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=O)CC(C2)(C)C)C(=O)CCC(=O)OC

InChI

InChI=1S/C20H25NO4/c1-13-5-7-14(8-6-13)21-15-11-20(2,3)12-17(23)19(15)16(22)9-10-18(24)25-4/h5-8,21H,9-12H2,1-4H3