methyl (1S)-5-butanoyl-2,2-dimethyl-6-oxidanylidene-4-prop-2-enylimino-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S)-5-butanoyl-2,2-dimethyl-6-oxidanylidene-4-prop-2-enylimino-cyclohexane-1-carboxylate Openeye Name: methyl (1S)-4-allylimino-5-butanoyl-2,2-dimethyl-6-oxo-cyclohexanecarboxylate CAS Name: (1S)-2,2-dimethyl-6-oxo-5-(1-oxobutyl)-4-prop-2-enylimino-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S)-5-butanoyl-2,2-dimethyl-6-oxo-4-prop-2-enyliminocyclohexane-1-carboxylate Traditional Name: (1S)-4-allylimino-5-butyryl-6-keto-2,2-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=NCC=C)CC(C(C1=O)C(=O)OC)(C)C

Isomeric SMILES

CCCC(=O)C1C(=NCC=C)CC([C@@H](C1=O)C(=O)OC)(C)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/h7,13-14H,2,6,8-10H2,1,3-5H3/t13?,14-/m0/s1