(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3,4,5,6-pentamethylbenzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3,4,5,6-pentamethylbenzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H22N2O3/c1-12-13(2)15(4)19(16(5)14(12)3)21(24)25-11-18-22-23-20(26-18)17-9-7-6-8-10-17/h6-10H,11H2,1-5H3