(2R,3S)-3-(1,3-benzodioxol-5-yl)-2-methyl-3-phenylazanyl-propanenitrile

Systemtic Name: (2R,3S)-3-(1,3-benzodioxol-5-yl)-2-methyl-3-phenylazanyl-propanenitrile Openeye Name: (2R,3S)-3-anilino-3-(1,3-benzodioxol-5-yl)-2-methyl-propanenitrile CAS Name: (2R,3S)-3-anilino-3-(1,3-benzodioxol-5-yl)-2-methylpropanenitrile IUPAC Name: (2R,3S)-3-anilino-3-(1,3-benzodioxol-5-yl)-2-methylpropanenitrile Traditional Name: (2R,3S)-3-anilino-3-(1,3-benzodioxol-5-yl)-2-methyl-propionitrile Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C(C1=CC2=C(C=C1)OCO2)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C#N)[C@@H](C1=CC2=C(C=C1)OCO2)NC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O2/c1-12(10-18)17(19-14-5-3-2-4-6-14)13-7-8-15-16(9-13)21-11-20-15/h2-9,12,17,19H,11H2,1H3/t12-,17-/m0/s1