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

Systemtic Name: methyl 3-butanoyl-6,6-dimethyl-2-oxidanylidene-4-[(phenylmethyl)amino]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 4-(benzylamino)-3-butanoyl-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6,6-dimethyl-2-oxo-3-(1-oxobutyl)-4-[(phenylmethyl)amino]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 4-(benzylamino)-3-butanoyl-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-(benzylamino)-3-butyryl-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO4/c1-5-9-16(23)17-15(22-13-14-10-7-6-8-11-14)12-21(2,3)18(19(17)24)20(25)26-4/h6-8,10-11,18,22H,5,9,12-13H2,1-4H3