3-(5-hexyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid

Systemtic Name: 3-(5-hexyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid Openeye Name: 3-(5-hexyl-4,5-dihydroisoxazol-3-yl)propanoic acid CAS Name: 3-(5-hexyl-4,5-dihydroisoxazol-3-yl)propanoic acid IUPAC Name: 3-(5-hexyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid Traditional Name: 3-(5-hexyl-2-isoxazolin-3-yl)propionic acid Formula: C12H21NO3 MolecularWeight: 227.30004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(=NO1)CCC(=O)O

Isomeric SMILES

CCCCCCC1CC(=NO1)CCC(=O)O

InChI

InChI=1S/C12H21NO3/c1-2-3-4-5-6-11-9-10(13-16-11)7-8-12(14)15/h11H,2-9H2,1H3,(H,14,15)