methyl 3-butanoyl-6,6-dimethyl-4-(naphthalen-2-ylamino)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 3-butanoyl-6,6-dimethyl-4-(naphthalen-2-ylamino)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-6,6-dimethyl-4-(2-naphthylamino)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6,6-dimethyl-4-(2-naphthalenylamino)-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-6,6-dimethyl-4-(naphthalen-2-ylamino)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 3-butyryl-2-keto-6,6-dimethyl-4-(2-naphthylamino)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C24H27NO4/c1-5-8-19(26)20-18(14-24(2,3)21(22(20)27)23(28)29-4)25-17-12-11-15-9-6-7-10-16(15)13-17/h6-7,9-13,21,25H,5,8,14H2,1-4H3