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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)OC2=CC(=CC=C2)OCC3=NOC=N3)C=O

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)OC2=CC(=CC=C2)OCC3=NOC=N3)C=O

InChI

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