[(1R,5S)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl] N-butylcarbamate

Systemtic Name: [(1R,5S)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl] N-butylcarbamate Openeye Name: [(1R,5S)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl] N-butylcarbamate CAS Name: N-butylcarbamic acid [(1R,5S)-3-ethynyl-5-hydroxy-4-methyl-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,5S)-3-ethynyl-5-hydroxy-4-methylcyclohex-3-en-1-yl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [(1R,5S)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl] ester Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC1CC(C(=C(C1)C#C)C)O

Isomeric SMILES

CCCCNC(=O)O[C@H]1C[C@@H](C(=C(C1)C#C)C)O

InChI

InChI=1S/C14H21NO3/c1-4-6-7-15-14(17)18-12-8-11(5-2)10(3)13(16)9-12/h2,12-13,16H,4,6-9H2,1,3H3,(H,15,17)/t12-,13+/m1/s1