4-[2-(hydroxymethyl)-6-methoxy-phenoxy]butanenitrile

Systemtic Name: 4-[2-(hydroxymethyl)-6-methoxy-phenoxy]butanenitrile Openeye Name: 4-[2-(hydroxymethyl)-6-methoxy-phenoxy]butanenitrile CAS Name: 4-[2-(hydroxymethyl)-6-methoxyphenoxy]butanenitrile IUPAC Name: 4-[2-(hydroxymethyl)-6-methoxyphenoxy]butanenitrile Traditional Name: 4-(2-methoxy-6-methylol-phenoxy)butyronitrile Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCCCC#N)CO

Isomeric SMILES

COC1=CC=CC(=C1OCCCC#N)CO

InChI

InChI=1S/C12H15NO3/c1-15-11-6-4-5-10(9-14)12(11)16-8-3-2-7-13/h4-6,14H,2-3,8-9H2,1H3