2-[4-[3-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[(2,4-dimethylphenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[(2,4-dimethylphenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[(2,4-dimethylbenzyl)-methyl-amino]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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