2-[4-[2-oxidanyl-3-[(phenylmethyl)-propan-2-yl-amino]propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[2-oxidanyl-3-[(phenylmethyl)-propan-2-yl-amino]propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[benzyl(isopropyl)amino]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-hydroxy-3-[(phenylmethyl)-propan-2-ylamino]propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[benzyl(isopropyl)amino]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)CC(COC2=CC=C(C=C2)CC#N)O

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)CC(COC2=CC=C(C=C2)CC#N)O

InChI

InChI=1S/C21H26N2O2/c1-17(2)23(14-19-6-4-3-5-7-19)15-20(24)16-25-21-10-8-18(9-11-21)12-13-22/h3-11,17,20,24H,12,14-16H2,1-2H3