methyl (1S)-5-(1-azanylbutylidene)-2,2-dimethyl-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: methyl (1S)-5-(1-azanylbutylidene)-2,2-dimethyl-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: methyl (1S)-5-(1-aminobutylidene)-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylate CAS Name: (1S)-5-(1-aminobutylidene)-2,2-dimethyl-4,6-dioxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S)-5-(1-aminobutylidene)-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate Traditional Name: (1S)-5-(1-aminobutylidene)-4,6-diketo-2,2-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4/c1-5-6-8(15)10-9(16)7-14(2,3)11(12(10)17)13(18)19-4/h11H,5-7,15H2,1-4H3/t11-/m0/s1