(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethylphenyl)carbonylbenzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethylphenyl)carbonylbenzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethylbenzoyl)benzoate CAS Name: 2-[(3,4-dimethylphenyl)-oxomethyl]benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethylbenzoyl)benzoate Traditional Name: 2-(3,4-dimethylbenzoyl)benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H20N2O4/c1-16-12-13-19(14-17(16)2)23(28)20-10-6-7-11-21(20)25(29)30-15-22-26-27-24(31-22)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3