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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCCCCC2=CC(=NO2)C)C3=NCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCCCCC2=CC(=NO2)C)C3=NCCO3

InChI

InChI=1S/C21H28N2O3/c1-16-14-18(9-10-20(16)21-22-11-13-25-21)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