methyl 7-(5-ethanoyl-4,5-dihydro-1,2-oxazol-3-yl)heptanoate

Systemtic Name: methyl 7-(5-ethanoyl-4,5-dihydro-1,2-oxazol-3-yl)heptanoate Openeye Name: methyl 7-(5-acetyl-4,5-dihydroisoxazol-3-yl)heptanoate CAS Name: 7-(5-acetyl-4,5-dihydroisoxazol-3-yl)heptanoic acid methyl ester IUPAC Name: methyl 7-(5-acetyl-4,5-dihydro-1,2-oxazol-3-yl)heptanoate Traditional Name: 7-(5-acetyl-2-isoxazolin-3-yl)enanthic acid methyl ester Formula: C13H21NO4 MolecularWeight: 255.31014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(=NO1)CCCCCCC(=O)OC

Isomeric SMILES

CC(=O)C1CC(=NO1)CCCCCCC(=O)OC

InChI

InChI=1S/C13H21NO4/c1-10(15)12-9-11(14-18-12)7-5-3-4-6-8-13(16)17-2/h12H,3-9H2,1-2H3