methyl 3-butanoyl-4-[(3-ethanoylphenyl)amino]-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 3-butanoyl-4-[(3-ethanoylphenyl)amino]-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 4-(3-acetylanilino)-3-butanoyl-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(3-acetylanilino)-6,6-dimethyl-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-acetylanilino)-3-butanoyl-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-(3-acetylanilino)-3-butyryl-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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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=CC(=C2)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c1-6-8-17(25)18-16(23-15-10-7-9-14(11-15)13(2)24)12-22(3,4)19(20(18)26)21(27)28-5/h7,9-11,19,23H,6,8,12H2,1-5H3