4-[2-(hydroxymethyl)-5-propoxy-phenoxy]butanenitrile

Systemtic Name: 4-[2-(hydroxymethyl)-5-propoxy-phenoxy]butanenitrile Openeye Name: 4-[2-(hydroxymethyl)-5-propoxy-phenoxy]butanenitrile CAS Name: 4-[2-(hydroxymethyl)-5-propoxyphenoxy]butanenitrile IUPAC Name: 4-[2-(hydroxymethyl)-5-propoxyphenoxy]butanenitrile Traditional Name: 4-(2-methylol-5-propoxy-phenoxy)butyronitrile Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)CO)OCCCC#N

Isomeric SMILES

CCCOC1=CC(=C(C=C1)CO)OCCCC#N

InChI

InChI=1S/C14H19NO3/c1-2-8-17-13-6-5-12(11-16)14(10-13)18-9-4-3-7-15/h5-6,10,16H,2-4,8-9,11H2,1H3