(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-ethylbenzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-ethylbenzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H16N2O3 MolecularWeight: 308.33124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3/c1-2-13-8-10-15(11-9-13)18(21)22-12-16-19-17(20-23-16)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3