(2S)-2-(cycloheptylamino)-2-(2,4-dimethoxyphenyl)ethanenitrile

Systemtic Name: (2S)-2-(cycloheptylamino)-2-(2,4-dimethoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(cycloheptylamino)-2-(2,4-dimethoxyphenyl)acetonitrile CAS Name: (2S)-2-(cycloheptylamino)-2-(2,4-dimethoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(cycloheptylamino)-2-(2,4-dimethoxyphenyl)acetonitrile Traditional Name: (2S)-2-(cycloheptylamino)-2-(2,4-dimethoxyphenyl)acetonitrile Formula: C17H24N2O2 MolecularWeight: 288.38466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C#N)NC2CCCCCC2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@@H](C#N)NC2CCCCCC2)OC

InChI

InChI=1S/C17H24N2O2/c1-20-14-9-10-15(17(11-14)21-2)16(12-18)19-13-7-5-3-4-6-8-13/h9-11,13,16,19H,3-8H2,1-2H3/t16-/m1/s1