[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate CAS Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propionic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

InChI

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