4-(2-methylphenyl)-5-[3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-5-oxidanylidene-pentanoate

Systemtic Name: 4-(2-methylphenyl)-5-[3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-5-oxidanylidene-pentanoate Openeye Name: 4-(o-tolyl)-5-[3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-5-oxo-pentanoate CAS Name: 4-(2-methylphenyl)-5-[3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-5-oxopentanoate IUPAC Name: 4-(2-methylphenyl)-5-[3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-5-oxopentanoate Traditional Name: 5-keto-4-(o-tolyl)-5-[3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]valerate Formula: C21H19N2O5- MolecularWeight: 379.38596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)[O-])C(=O)C2=CC(=CC=C2)OCC3=NOC=N3

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])C(=O)C2=CC(=CC=C2)OCC3=NOC=N3

InChI

InChI=1S/C21H20N2O5/c1-14-5-2-3-8-17(14)18(9-10-20(24)25)21(26)15-6-4-7-16(11-15)27-12-19-22-13-28-23-19/h2-8,11,13,18H,9-10,12H2,1H3,(H,24,25)/p-1