2-[3-[1-(3,4-dimethylphenyl)ethylamino]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[1-(3,4-dimethylphenyl)ethylamino]phenoxy]ethanenitrile Openeye Name: 2-[3-[1-(3,4-dimethylphenyl)ethylamino]phenoxy]acetonitrile CAS Name: 2-[3-[1-(3,4-dimethylphenyl)ethylamino]phenoxy]acetonitrile IUPAC Name: 2-[3-[1-(3,4-dimethylphenyl)ethylamino]phenoxy]acetonitrile Traditional Name: 2-[3-[1-(3,4-dimethylphenyl)ethylamino]phenoxy]acetonitrile Formula: C18H20N2O MolecularWeight: 280.3642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC2=CC(=CC=C2)OCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC2=CC(=CC=C2)OCC#N)C

InChI

InChI=1S/C18H20N2O/c1-13-7-8-16(11-14(13)2)15(3)20-17-5-4-6-18(12-17)21-10-9-19/h4-8,11-12,15,20H,10H2,1-3H3