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

Systemtic Name: methyl (1R)-3-butanoyl-6,6-dimethyl-4-(naphthalen-1-ylamino)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R)-3-butanoyl-6,6-dimethyl-4-(1-naphthylamino)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1R)-6,6-dimethyl-4-(1-naphthalenylamino)-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R)-3-butanoyl-6,6-dimethyl-4-(naphthalen-1-ylamino)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1R)-3-butyryl-2-keto-6,6-dimethyl-4-(1-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=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCC(=O)C1=C(CC([C@H](C1=O)C(=O)OC)(C)C)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C24H27NO4/c1-5-9-19(26)20-18(14-24(2,3)21(22(20)27)23(28)29-4)25-17-13-8-11-15-10-6-7-12-16(15)17/h6-8,10-13,21,25H,5,9,14H2,1-4H3/t21-/m1/s1