2-(3,4-dimethoxy-2-phenethyl-phenyl)ethanenitrile

Systemtic Name: 2-(3,4-dimethoxy-2-phenethyl-phenyl)ethanenitrile Openeye Name: 2-(3,4-dimethoxy-2-phenethyl-phenyl)acetonitrile CAS Name: 2-(3,4-dimethoxy-2-phenethylphenyl)acetonitrile IUPAC Name: 2-(3,4-dimethoxy-2-phenethylphenyl)acetonitrile Traditional Name: 2-(3,4-dimethoxy-2-phenethyl-phenyl)acetonitrile Formula: C18H19NO2 MolecularWeight: 281.34896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC#N)CCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC#N)CCC2=CC=CC=C2)OC

InChI

InChI=1S/C18H19NO2/c1-20-17-11-9-15(12-13-19)16(18(17)21-2)10-8-14-6-4-3-5-7-14/h3-7,9,11H,8,10,12H2,1-2H3