(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(4-ethylphenyl)ethanenitrile

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(4-ethylphenyl)ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(4-ethylphenyl)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(4-ethylphenyl)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-(4-ethylphenyl)acetonitrile Traditional Name: (2S)-2-(4-ethylphenyl)-2-(piperonylamino)acetonitrile Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C#N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C#N)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18N2O2/c1-2-13-3-6-15(7-4-13)16(10-19)20-11-14-5-8-17-18(9-14)22-12-21-17/h3-9,16,20H,2,11-12H2,1H3/t16-/m1/s1