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

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(4-ethylanilino)-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-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-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-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-3-16-9-11-18(12-10-16)23-22(27)15(2)28-20(26)14-13-19-24-21(25-29-19)17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)