4-octyl-2-(oxan-2-yl)-3-phenyl-1,2-oxazol-5-one

Systemtic Name: 4-octyl-2-(oxan-2-yl)-3-phenyl-1,2-oxazol-5-one Openeye Name: 4-octyl-3-phenyl-2-tetrahydropyran-2-yl-isoxazol-5-one CAS Name: 4-octyl-2-(2-oxanyl)-3-phenyl-5-isoxazolone IUPAC Name: 4-octyl-2-(oxan-2-yl)-3-phenyl-1,2-oxazol-5-one Traditional Name: 4-octyl-3-phenyl-2-tetrahydropyran-2-yl-3-isoxazolin-5-one Formula: C22H31NO3 MolecularWeight: 357.48644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N(OC1=O)C2CCCCO2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=C(N(OC1=O)C2CCCCO2)C3=CC=CC=C3

InChI

InChI=1S/C22H31NO3/c1-2-3-4-5-6-10-15-19-21(18-13-8-7-9-14-18)23(26-22(19)24)20-16-11-12-17-25-20/h7-9,13-14,20H,2-6,10-12,15-17H2,1H3