(2,6-dimethylphenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: (2,6-dimethylphenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid (2,6-dimethylphenyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O3/c1-14-6-5-7-15(2)19(14)26-20(24)16-10-12-23(13-11-16)21-22-17-8-3-4-9-18(17)25-21/h3-9,16H,10-13H2,1-2H3