5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-phenoxy]heptyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methyl-phenoxy]heptyl]-3-methyl-1,2-oxazole Openeye Name: 5-[7-[4-(4,5-dihydrooxazol-2-yl)-2-methyl-phenoxy]heptyl]-3-methyl-isoxazole CAS Name: 5-[7-[4-(4,5-dihydrooxazol-2-yl)-2-methylphenoxy]heptyl]-3-methylisoxazole IUPAC Name: 5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylphenoxy]heptyl]-3-methyl-1,2-oxazole Traditional Name: 3-methyl-5-[7-[2-methyl-4-(2-oxazolin-2-yl)phenoxy]heptyl]isoxazole Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NCCO2)OCCCCCCCC3=CC(=NO3)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NCCO2)OCCCCCCCC3=CC(=NO3)C

InChI

InChI=1S/C21H28N2O3/c1-16-14-18(21-22-11-13-25-21)9-10-20(16)24-12-7-5-3-4-6-8-19-15-17(2)23-26-19/h9-10,14-15H,3-8,11-13H2,1-2H3