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

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(benzylamino)-1-methyl-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-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-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-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-15(21(26)22-14-16-8-4-2-5-9-16)27-19(25)13-12-18-23-20(24-28-18)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,22,26)