(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: 2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: 3-methyl-2-(phenylcarbamoylamino)butyric acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC(=NO1)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC1=NC(=NO1)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4/c1-14(2)18(24-21(27)22-16-11-7-4-8-12-16)20(26)28-13-17-23-19(25-29-17)15-9-5-3-6-10-15/h3-12,14,18H,13H2,1-2H3,(H2,22,24,27)