ethyl (E,2R,3R)-2-azanyl-3-oxidanyl-octadec-4-enoate

Systemtic Name: ethyl (E,2R,3R)-2-azanyl-3-oxidanyl-octadec-4-enoate Openeye Name: ethyl (E,2R,3R)-2-amino-3-hydroxy-octadec-4-enoate CAS Name: (E,2R,3R)-2-amino-3-hydroxy-4-octadecenoic acid ethyl ester IUPAC Name: ethyl (E,2R,3R)-2-amino-3-hydroxyoctadec-4-enoate Traditional Name: (E,2R,3R)-2-amino-3-hydroxy-octadec-4-enoic acid ethyl ester Formula: C20H39NO3 MolecularWeight: 343.51387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(C(=O)OCC)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([13C@H]([13C](=O)OCC)N)O

InChI

InChI=1S/C20H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(22)19(21)20(23)24-4-2/h16-19,22H,3-15,21H2,1-2H3/b17-16+/t18-,19-/m1/s1/i19+1,20+1