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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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