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

Systemtic Name: 3-[2-chloranyl-6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]oxy-4-phenylmethoxy-benzenecarbonitrile Openeye Name: 4-benzyloxy-3-[6-(4-benzyloxyphenyl)-2-chloro-pyrimidin-4-yl]oxy-benzonitrile CAS Name: 3-[[2-chloro-6-(4-phenylmethoxyphenyl)-4-pyrimidinyl]oxy]-4-phenylmethoxybenzonitrile IUPAC Name: 3-[2-chloro-6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]oxy-4-phenylmethoxybenzonitrile Traditional Name: 4-benzoxy-3-[6-(4-benzoxyphenyl)-2-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=CC(=NC(=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=CC(=NC(=N3)Cl)OC4=C(C=CC(=C4)C#N)OCC5=CC=CC=C5

InChI

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