2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; 2-phenylbutanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; 2-phenylbutanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine; 2-phenylbutanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-N-methylethanamine; 2-phenylbutanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-methylethanamine; 2-phenylbutanenitrile Traditional Name: homoveratryl(methyl)amine; 2-phenylbutyronitrile Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C1=CC=CC=C1.CNCCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCC(C#N)C1=CC=CC=C1.CNCCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C11H17NO2.C10H11N/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;1-2-9(8-11)10-6-4-3-5-7-10/h4-5,8,12H,6-7H2,1-3H3;3-7,9H,2H2,1H3