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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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