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

Systemtic Name: 4-[5-(hydroxymethyl)-2-methoxy-phenoxy]butanenitrile Openeye Name: 4-[5-(hydroxymethyl)-2-methoxy-phenoxy]butanenitrile CAS Name: 4-[5-(hydroxymethyl)-2-methoxyphenoxy]butanenitrile IUPAC Name: 4-[5-(hydroxymethyl)-2-methoxyphenoxy]butanenitrile Traditional Name: 4-(2-methoxy-5-methylol-phenoxy)butyronitrile Formula: C12H15NO3 MolecularWeight: 221.2524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CO)OCCCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)CO)OCCCC#N

InChI

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