3-[methyl-[4-(2-oxidanyl-2-phenyl-ethanoyl)phenyl]amino]propanenitrile

Systemtic Name: 3-[methyl-[4-(2-oxidanyl-2-phenyl-ethanoyl)phenyl]amino]propanenitrile Openeye Name: 3-[4-(2-hydroxy-2-phenyl-acetyl)-N-methyl-anilino]propanenitrile CAS Name: 3-[4-(2-hydroxy-1-oxo-2-phenylethyl)-N-methylanilino]propanenitrile IUPAC Name: 3-[4-(2-hydroxy-2-phenylacetyl)-N-methylanilino]propanenitrile Traditional Name: 3-(4-mandeloyl-N-methyl-anilino)propionitrile Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)O

Isomeric SMILES

CN(CCC#N)C1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)O

InChI

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