(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]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-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC(=NO3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC(=NO3)C(C)C

InChI

InChI=1S/C21H20N2O4/c1-13(2)20-22-18(27-23-20)12-26-21(25)17-7-5-4-6-16(17)19(24)15-10-8-14(3)9-11-15/h4-11,13H,12H2,1-3H3