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

Systemtic Name: methyl (1R)-5-butanoyl-2,2-dimethyl-4-oxidanylidene-6-prop-2-enylimino-cyclohexane-1-carboxylate Openeye Name: methyl (1R)-6-allylimino-5-butanoyl-2,2-dimethyl-4-oxo-cyclohexanecarboxylate CAS Name: (1R)-2,2-dimethyl-4-oxo-5-(1-oxobutyl)-6-prop-2-enylimino-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R)-5-butanoyl-2,2-dimethyl-4-oxo-6-prop-2-enyliminocyclohexane-1-carboxylate Traditional Name: (1R)-6-allylimino-5-butyryl-4-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(=O)CC(C(C1=NCC=C)C(=O)OC)(C)C

Isomeric SMILES

CCCC(=O)C1C(=O)CC([C@H](C1=NCC=C)C(=O)OC)(C)C

InChI

InChI=1S/C17H25NO4/c1-6-8-11(19)13-12(20)10-17(3,4)14(16(21)22-5)15(13)18-9-7-2/h7,13-14H,2,6,8-10H2,1,3-5H3/t13?,14-/m1/s1