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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(C2=CC(=CC=C2)OCC3=NOC=N3)C(=O)O)C=O

Isomeric SMILES

CC1=CC=CC=C1C(CC(C2=CC(=CC=C2)OCC3=NOC=N3)C(=O)O)C=O

InChI

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