2-pyrimidin-4-yl-2-[(3,4,5-trimethoxyphenyl)methoxy]ethanenitrile

Systemtic Name: 2-pyrimidin-4-yl-2-[(3,4,5-trimethoxyphenyl)methoxy]ethanenitrile Openeye Name: 2-pyrimidin-4-yl-2-[(3,4,5-trimethoxyphenyl)methoxy]acetonitrile CAS Name: 2-(4-pyrimidinyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]acetonitrile IUPAC Name: 2-pyrimidin-4-yl-2-[(3,4,5-trimethoxyphenyl)methoxy]acetonitrile Traditional Name: 2-(4-pyrimidyl)-2-(3,4,5-trimethoxybenzyl)oxy-acetonitrile Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)COC(C#N)C2=NC=NC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)COC(C#N)C2=NC=NC=C2

InChI

InChI=1S/C16H17N3O4/c1-20-13-6-11(7-14(21-2)16(13)22-3)9-23-15(8-17)12-4-5-18-10-19-12/h4-7,10,15H,9H2,1-3H3