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

Systemtic Name: tert-butyl N-[(1S,5R)-3-ethynyl-2-methyl-5-oxidanyl-cyclohex-2-en-1-yl]carbamate Openeye Name: tert-butyl N-[(1S,5R)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-en-1-yl]carbamate CAS Name: N-[(1S,5R)-3-ethynyl-5-hydroxy-2-methyl-1-cyclohex-2-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S,5R)-3-ethynyl-5-hydroxy-2-methylcyclohex-2-en-1-yl]carbamate Traditional Name: N-[(1S,5R)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-en-1-yl]carbamic acid tert-butyl ester Formula: C14H21NO3 MolecularWeight: 251.32144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1NC(=O)OC(C)(C)C)O)C#C

Isomeric SMILES

CC1=C(C[C@H](C[C@@H]1NC(=O)OC(C)(C)C)O)C#C

InChI

InChI=1S/C14H21NO3/c1-6-10-7-11(16)8-12(9(10)2)15-13(17)18-14(3,4)5/h1,11-12,16H,7-8H2,2-5H3,(H,15,17)/t11-,12+/m1/s1