methyl (2S)-3-[(1S,4R)-4-oxidanylcyclohex-2-en-1-yl]-2-(prop-2-enoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[(1S,4R)-4-oxidanylcyclohex-2-en-1-yl]-2-(prop-2-enoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(allyloxycarbonylamino)-3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]propanoate CAS Name: (2S)-3-[(1S,4R)-4-hydroxy-1-cyclohex-2-enyl]-2-[[oxo(prop-2-enoxy)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-(prop-2-enoxycarbonylamino)propanoate Traditional Name: (2S)-2-(allyloxycarbonylamino)-3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]propionic acid methyl ester Formula: C14H21NO5 MolecularWeight: 283.32024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCC(C=C1)O)NC(=O)OCC=C

Isomeric SMILES

COC(=O)[C@H](C[C@@H]1CC[C@H](C=C1)O)NC(=O)OCC=C

InChI

InChI=1S/C14H21NO5/c1-3-8-20-14(18)15-12(13(17)19-2)9-10-4-6-11(16)7-5-10/h3-4,6,10-12,16H,1,5,7-9H2,2H3,(H,15,18)/t10-,11-,12-/m0/s1