(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methylphenyl)methylamino]ethanenitrile

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methylphenyl)methylamino]ethanenitrile Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(o-tolylmethylamino)acetonitrile CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methylphenyl)methylamino]acetonitrile IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methylphenyl)methylamino]acetonitrile Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methylbenzyl)amino]acetonitrile Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(C#N)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=CC=C1CN[C@H](C#N)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H18N2O2/c1-13-4-2-3-5-15(13)12-20-16(11-19)14-6-7-17-18(10-14)22-9-8-21-17/h2-7,10,16,20H,8-9,12H2,1H3/t16-/m1/s1