tert-butyl 2-[4-[(5-cyano-1-benzofuran-2-yl)carbonylamino]cyclohexyl]oxyethanoate

Systemtic Name: tert-butyl 2-[4-[(5-cyano-1-benzofuran-2-yl)carbonylamino]cyclohexyl]oxyethanoate Openeye Name: tert-butyl 2-[4-[(5-cyanobenzofuran-2-carbonyl)amino]cyclohexoxy]acetate CAS Name: 2-[4-[[(5-cyano-2-benzofuranyl)-oxomethyl]amino]cyclohexyl]oxyacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(5-cyano-1-benzofuran-2-carbonyl)amino]cyclohexyl]oxyacetate Traditional Name: 2-[4-[(5-cyanobenzofuran-2-carbonyl)amino]cyclohexoxy]acetic acid tert-butyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)COC1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C#N

InChI

InChI=1S/C22H26N2O5/c1-22(2,3)29-20(25)13-27-17-7-5-16(6-8-17)24-21(26)19-11-15-10-14(12-23)4-9-18(15)28-19/h4,9-11,16-17H,5-8,13H2,1-3H3,(H,24,26)