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

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylphenyl)carbonylamino]benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate Traditional Name: 2-(m-toluoylamino)benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C(C)C

InChI

InChI=1S/C21H21N3O4/c1-13(2)19-23-18(28-24-19)12-27-21(26)16-9-4-5-10-17(16)22-20(25)15-8-6-7-14(3)11-15/h4-11,13H,12H2,1-3H3,(H,22,25)