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

Systemtic Name: [(1R,5R)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl] N-(3-azanylpropyl)carbamate Openeye Name: [(1R,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl] N-(3-aminopropyl)carbamate CAS Name: N-(3-aminopropyl)carbamic acid [(1R,5R)-3-ethynyl-5-hydroxy-4-methyl-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,5R)-3-ethynyl-5-hydroxy-4-methylcyclohex-3-en-1-yl] N-(3-aminopropyl)carbamate Traditional Name: N-(3-aminopropyl)carbamic acid [(1R,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl] ester Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1O)OC(=O)NCCCN)C#C

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-3-10-7-11(8-12(16)9(10)2)18-13(17)15-6-4-5-14/h1,11-12,16H,4-8,14H2,2H3,(H,15,17)/t11-,12-/m1/s1