2-[2-oxidanyl-3-(propan-2-ylamino)butoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 2-[2-oxidanyl-3-(propan-2-ylamino)butoxy]benzenecarbonitrile hydrochloride Openeye Name: 2-[2-hydroxy-3-(isopropylamino)butoxy]benzonitrile hydrochloride CAS Name: 2-[2-hydroxy-3-(propan-2-ylamino)butoxy]benzonitrile hydrochloride IUPAC Name: 2-[2-hydroxy-3-(propan-2-ylamino)butoxy]benzonitrile hydrochloride Traditional Name: 2-[2-hydroxy-3-(isopropylamino)butoxy]benzonitrile hydrochloride Formula: C14H21ClN2O2 MolecularWeight: 284.78174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(C)C(COC1=CC=CC=C1C#N)O.Cl

Isomeric SMILES

CC(C)NC(C)C(COC1=CC=CC=C1C#N)O.Cl

InChI

InChI=1S/C14H20N2O2.ClH/c1-10(2)16-11(3)13(17)9-18-14-7-5-4-6-12(14)8-15;/h4-7,10-11,13,16-17H,9H2,1-3H3;1H