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

Systemtic Name: methyl 3-butanoyl-6,6-dimethyl-2-oxidanylidene-4-(prop-2-enylamino)cyclohex-3-ene-1-carboxylate Openeye Name: methyl 4-(allylamino)-3-butanoyl-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6,6-dimethyl-2-oxo-3-(1-oxobutyl)-4-(prop-2-enylamino)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-6,6-dimethyl-2-oxo-4-(prop-2-enylamino)cyclohex-3-ene-1-carboxylate Traditional Name: 4-(allylamino)-3-butyryl-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCC=C

Isomeric SMILES

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NCC=C

InChI

InChI=1S/C17H25NO4/c1-6-8-12(19)13-11(18-9-7-2)10-17(3,4)14(15(13)20)16(21)22-5/h7,14,18H,2,6,8-10H2,1,3-5H3