[(3S,5S)-5-oxidanyl-1-phenylmethoxy-dec-9-en-3-yl] 2-methylpropanoate

Systemtic Name: [(3S,5S)-5-oxidanyl-1-phenylmethoxy-dec-9-en-3-yl] 2-methylpropanoate Openeye Name: [(1S,3S)-1-(2-benzyloxyethyl)-3-hydroxy-oct-7-enyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(3S,5S)-5-hydroxy-1-phenylmethoxydec-9-en-3-yl] ester IUPAC Name: [(3S,5S)-5-hydroxy-1-phenylmethoxydec-9-en-3-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(1S,3S)-1-(2-benzoxyethyl)-3-hydroxy-oct-7-enyl] ester Formula: C21H32O4 MolecularWeight: 348.47638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC(CCOCC1=CC=CC=C1)CC(CCCC=C)O

Isomeric SMILES

CC(C)C(=O)O[C@@H](CCOCC1=CC=CC=C1)C[C@H](CCCC=C)O

InChI

InChI=1S/C21H32O4/c1-4-5-7-12-19(22)15-20(25-21(23)17(2)3)13-14-24-16-18-10-8-6-9-11-18/h4,6,8-11,17,19-20,22H,1,5,7,12-16H2,2-3H3/t19-,20-/m0/s1