4-[3-(dimethylamino)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-(dimethylamino)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-(dimethylamino)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-(dimethylamino)-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-(dimethylamino)-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-(dimethylamino)-2-hydroxy-propoxy]benzonitrile Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=C(C=C1)C#N)O

Isomeric SMILES

CN(C)CC(COC1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C12H16N2O2/c1-14(2)8-11(15)9-16-12-5-3-10(7-13)4-6-12/h3-6,11,15H,8-9H2,1-2H3