2-(1-methoxy-4-oxidanyl-butan-2-yl)oxy-2-phenyl-ethanenitrile

Systemtic Name: 2-(1-methoxy-4-oxidanyl-butan-2-yl)oxy-2-phenyl-ethanenitrile Openeye Name: 2-[3-hydroxy-1-(methoxymethyl)propoxy]-2-phenyl-acetonitrile CAS Name: 2-(4-hydroxy-1-methoxybutan-2-yl)oxy-2-phenylacetonitrile IUPAC Name: 2-(4-hydroxy-1-methoxybutan-2-yl)oxy-2-phenylacetonitrile Traditional Name: 2-[3-hydroxy-1-(methoxymethyl)propoxy]-2-phenyl-acetonitrile Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CCO)OC(C#N)C1=CC=CC=C1

Isomeric SMILES

COCC(CCO)OC(C#N)C1=CC=CC=C1

InChI

InChI=1S/C13H17NO3/c1-16-10-12(7-8-15)17-13(9-14)11-5-3-2-4-6-11/h2-6,12-13,15H,7-8,10H2,1H3