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

Systemtic Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 4-(2-acetamidoethyl)benzoate Openeye Name: [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl 4-(2-acetamidoethyl)benzoate CAS Name: 4-(2-acetamidoethyl)benzoic acid [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 4-(2-acetamidoethyl)benzoate Traditional Name: 4-(2-acetamidoethyl)benzoic acid [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=CC=C(C=C3)CCNC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=CC=C(C=C3)CCNC(=O)C

InChI

InChI=1S/C21H21N3O4/c1-14-3-7-17(8-4-14)20-23-19(24-28-20)13-27-21(26)18-9-5-16(6-10-18)11-12-22-15(2)25/h3-10H,11-13H2,1-2H3,(H,22,25)