3-oxidanylidenebutan-2-yl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid (2-keto-1-methyl-propyl) ester Formula: C17H20N2O4 MolecularWeight: 316.3517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C(=O)C)OC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H20N2O4/c1-11(20)12(2)22-16(21)13-7-9-19(10-8-13)17-18-14-5-3-4-6-15(14)23-17/h3-6,12-13H,7-10H2,1-2H3