(phenylmethyl) 4-[6-(5-cyano-2-phenylmethoxy-phenoxy)-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyrimidin-4-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[6-(5-cyano-2-phenylmethoxy-phenoxy)-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyrimidin-4-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[6-(2-benzyloxy-5-cyano-phenoxy)-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyrimidin-4-yl]piperidine-1-carboxylate CAS Name: 4-[6-(5-cyano-2-phenylmethoxyphenoxy)-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyrimidinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[6-(5-cyano-2-phenylmethoxyphenoxy)-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyrimidin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[6-(2-benzoxy-5-cyano-phenoxy)-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]pyrimidin-4-yl]piperidine-1-carboxylic acid benzyl ester Formula: C41H38N6O5 MolecularWeight: 694.77762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=CC(=N3)OC4=C(C=CC(=C4)C#N)OCC5=CC=CC=C5)C6CCN(CC6)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=CC(=N3)OC4=C(C=CC(=C4)C#N)OCC5=CC=CC=C5)C6CCN(CC6)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C41H38N6O5/c1-46-22-19-43-39(46)33-13-8-14-34(24-33)51-40-44-35(32-17-20-47(21-18-32)41(48)50-28-30-11-6-3-7-12-30)25-38(45-40)52-37-23-31(26-42)15-16-36(37)49-27-29-9-4-2-5-10-29/h2-16,23-25,32H,17-22,27-28H2,1H3