[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-oxidanylidenepiperidin-1-yl)benzoate

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-oxidanylidenepiperidin-1-yl)benzoate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-oxo-1-piperidyl)benzoate CAS Name: 4-(2-oxo-1-piperidinyl)benzoic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-oxopiperidin-1-yl)benzoate Traditional Name: 4-(2-ketopiperidino)benzoic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)N4CCCCC4=O

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)N4CCCCC4=O

InChI

InChI=1S/C22H21N3O4/c1-15-6-2-3-7-18(15)21-23-19(29-24-21)14-28-22(27)16-9-11-17(12-10-16)25-13-5-4-8-20(25)26/h2-3,6-7,9-12H,4-5,8,13-14H2,1H3