2-[4-[3-[ethyl-[(3-methylphenyl)methyl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-[ethyl-[(3-methylphenyl)methyl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[ethyl(m-tolylmethyl)amino]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[ethyl-[(3-methylphenyl)methyl]amino]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[ethyl-[(3-methylphenyl)methyl]amino]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[ethyl-(3-methylbenzyl)amino]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-3-23(14-19-6-4-5-17(2)13-19)15-20(24)16-25-21-9-7-18(8-10-21)11-12-22/h4-10,13,20,24H,3,11,14-16H2,1-2H3