tert-butyl 3-[1-[(5-cyano-1-benzofuran-2-yl)carbonyl]piperidin-4-yl]propanoate

Systemtic Name: tert-butyl 3-[1-[(5-cyano-1-benzofuran-2-yl)carbonyl]piperidin-4-yl]propanoate Openeye Name: tert-butyl 3-[1-(5-cyanobenzofuran-2-carbonyl)-4-piperidyl]propanoate CAS Name: 3-[1-[(5-cyano-2-benzofuranyl)-oxomethyl]-4-piperidinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-(5-cyano-1-benzofuran-2-carbonyl)piperidin-4-yl]propanoate Traditional Name: 3-[1-(5-cyanobenzofuran-2-carbonyl)-4-piperidyl]propionic acid tert-butyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CCC1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)C#N

InChI

InChI=1S/C22H26N2O4/c1-22(2,3)28-20(25)7-5-15-8-10-24(11-9-15)21(26)19-13-17-12-16(14-23)4-6-18(17)27-19/h4,6,12-13,15H,5,7-11H2,1-3H3