(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(2-oxidanylidenepiperidin-1-yl)benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(2-oxidanylidenepiperidin-1-yl)benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(2-oxo-1-piperidyl)benzoate CAS Name: 4-(2-oxo-1-piperidinyl)benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate Traditional Name: 4-(2-ketopiperidino)benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(=O)C1)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O4/c25-19-8-4-5-13-24(19)17-11-9-16(10-12-17)21(26)27-14-18-22-20(23-28-18)15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13-14H2