(2S)-2-(4-bromophenyl)-2-(3-methoxypropylamino)ethanenitrile

Systemtic Name: (2S)-2-(4-bromophenyl)-2-(3-methoxypropylamino)ethanenitrile Openeye Name: (2S)-2-(4-bromophenyl)-2-(3-methoxypropylamino)acetonitrile CAS Name: (2S)-2-(4-bromophenyl)-2-(3-methoxypropylamino)acetonitrile IUPAC Name: (2S)-2-(4-bromophenyl)-2-(3-methoxypropylamino)acetonitrile Traditional Name: (2S)-2-(4-bromophenyl)-2-(3-methoxypropylamino)acetonitrile Formula: C12H15BrN2O MolecularWeight: 283.1643

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(C#N)C1=CC=C(C=C1)Br

Isomeric SMILES

COCCCN[C@H](C#N)C1=CC=C(C=C1)Br

InChI

InChI=1S/C12H15BrN2O/c1-16-8-2-7-15-12(9-14)10-3-5-11(13)6-4-10/h3-6,12,15H,2,7-8H2,1H3/t12-/m1/s1