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

Systemtic Name: methyl 3-butanoyl-6,6-dimethyl-2-oxidanylidene-4-(phenethylamino)cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-(phenethylamino)cyclohex-3-ene-1-carboxylate CAS Name: 6,6-dimethyl-2-oxo-3-(1-oxobutyl)-4-(phenethylamino)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-(phenethylamino)cyclohex-3-ene-1-carboxylate Traditional Name: 3-butyryl-2-keto-6,6-dimethyl-4-(phenethylamino)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H29NO4/c1-5-9-17(24)18-16(23-13-12-15-10-7-6-8-11-15)14-22(2,3)19(20(18)25)21(26)27-4/h6-8,10-11,19,23H,5,9,12-14H2,1-4H3