2-[2-oxidanyl-3-(1-oxidanylbutan-2-ylamino)propoxy]benzenecarbonitrile

Systemtic Name: 2-[2-oxidanyl-3-(1-oxidanylbutan-2-ylamino)propoxy]benzenecarbonitrile Openeye Name: 2-[2-hydroxy-3-[1-(hydroxymethyl)propylamino]propoxy]benzonitrile CAS Name: 2-[2-hydroxy-3-(1-hydroxybutan-2-ylamino)propoxy]benzonitrile IUPAC Name: 2-[2-hydroxy-3-(1-hydroxybutan-2-ylamino)propoxy]benzonitrile Traditional Name: 2-[2-hydroxy-3-(1-methylolpropylamino)propoxy]benzonitrile Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC(COC1=CC=CC=C1C#N)O

Isomeric SMILES

CCC(CO)NCC(COC1=CC=CC=C1C#N)O

InChI

InChI=1S/C14H20N2O3/c1-2-12(9-17)16-8-13(18)10-19-14-6-4-3-5-11(14)7-15/h3-6,12-13,16-18H,2,8-10H2,1H3