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

Systemtic Name: 4-(2-methylphenyl)-5-[3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-5-oxidanylidene-pentanoic acid Openeye Name: 4-(o-tolyl)-5-[3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-5-oxo-pentanoic acid CAS Name: 4-(2-methylphenyl)-5-[3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-5-oxopentanoic acid IUPAC Name: 4-(2-methylphenyl)-5-[3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-5-oxopentanoic acid Traditional Name: 5-keto-4-(o-tolyl)-5-[3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]valeric acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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)