1-[2-(2,4-dimethylphenoxy)ethanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-(2,4-dimethylphenoxy)ethanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[2-(2,4-dimethylphenoxy)acetyl]-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[2-(2,4-dimethylphenoxy)-1-oxoethyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(2,4-dimethylphenoxy)acetyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[2-(2,4-dimethylphenoxy)acetyl]-N-(3-pyridylmethyl)isonipecotamide Formula: C22H27N3O3 MolecularWeight: 381.46808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3)C

InChI

InChI=1S/C22H27N3O3/c1-16-5-6-20(17(2)12-16)28-15-21(26)25-10-7-19(8-11-25)22(27)24-14-18-4-3-9-23-13-18/h3-6,9,12-13,19H,7-8,10-11,14-15H2,1-2H3,(H,24,27)