(phenylmethyl) 4-[2-chloranyl-6-(5-cyano-2-phenylmethoxy-phenoxy)pyrimidin-4-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-chloranyl-6-(5-cyano-2-phenylmethoxy-phenoxy)pyrimidin-4-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[6-(2-benzyloxy-5-cyano-phenoxy)-2-chloro-pyrimidin-4-yl]piperidine-1-carboxylate CAS Name: 4-[2-chloro-6-(5-cyano-2-phenylmethoxyphenoxy)-4-pyrimidinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-chloro-6-(5-cyano-2-phenylmethoxyphenoxy)pyrimidin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[6-(2-benzoxy-5-cyano-phenoxy)-2-chloro-pyrimidin-4-yl]piperidine-1-carboxylic acid benzyl ester Formula: C31H27ClN4O4 MolecularWeight: 555.02348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=NC(=N2)Cl)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=CC(=NC(=N2)Cl)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H27ClN4O4/c32-30-34-26(25-13-15-36(16-14-25)31(37)39-21-23-9-5-2-6-10-23)18-29(35-30)40-28-17-24(19-33)11-12-27(28)38-20-22-7-3-1-4-8-22/h1-12,17-18,25H,13-16,20-21H2