3-[6-chloranyl-2-(4-phenylmethoxyphenyl)pyrimidin-4-yl]oxy-4-phenylmethoxy-benzenecarbonitrile

Systemtic Name: 3-[6-chloranyl-2-(4-phenylmethoxyphenyl)pyrimidin-4-yl]oxy-4-phenylmethoxy-benzenecarbonitrile Openeye Name: 4-benzyloxy-3-[2-(4-benzyloxyphenyl)-6-chloro-pyrimidin-4-yl]oxy-benzonitrile CAS Name: 3-[[6-chloro-2-(4-phenylmethoxyphenyl)-4-pyrimidinyl]oxy]-4-phenylmethoxybenzonitrile IUPAC Name: 3-[6-chloro-2-(4-phenylmethoxyphenyl)pyrimidin-4-yl]oxy-4-phenylmethoxybenzonitrile Traditional Name: 4-benzoxy-3-[2-(4-benzoxyphenyl)-6-chloro-pyrimidin-4-yl]oxy-benzonitrile Formula: C31H22ClN3O3 MolecularWeight: 519.97768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC(=CC(=N3)Cl)OC4=C(C=CC(=C4)C#N)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC(=CC(=N3)Cl)OC4=C(C=CC(=C4)C#N)OCC5=CC=CC=C5

InChI

InChI=1S/C31H22ClN3O3/c32-29-18-30(38-28-17-24(19-33)11-16-27(28)37-21-23-9-5-2-6-10-23)35-31(34-29)25-12-14-26(15-13-25)36-20-22-7-3-1-4-8-22/h1-18H,20-21H2