tert-butyl N-[(1S,2R)-3-butyl-2-oxidanyl-5-oxidanylidene-cyclohex-3-en-1-yl]carbamate

Systemtic Name: tert-butyl N-[(1S,2R)-3-butyl-2-oxidanyl-5-oxidanylidene-cyclohex-3-en-1-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-3-butyl-2-hydroxy-5-oxo-cyclohex-3-en-1-yl]carbamate CAS Name: N-[(1S,2R)-3-butyl-2-hydroxy-5-oxo-1-cyclohex-3-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S,2R)-3-butyl-2-hydroxy-5-oxocyclohex-3-en-1-yl]carbamate Traditional Name: N-[(1S,2R)-3-butyl-2-hydroxy-5-keto-cyclohex-3-en-1-yl]carbamic acid tert-butyl ester Formula: C15H25NO4 MolecularWeight: 283.3633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)CC(C1O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CC(=O)C[C@@H]([C@@H]1O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C15H25NO4/c1-5-6-7-10-8-11(17)9-12(13(10)18)16-14(19)20-15(2,3)4/h8,12-13,18H,5-7,9H2,1-4H3,(H,16,19)/t12-,13+/m0/s1