ethoxyethane; 2-[2-(2-oxidanyl-2-phenyl-ethanoyl)phenyl]propanenitrile

Systemtic Name: ethoxyethane; 2-[2-(2-oxidanyl-2-phenyl-ethanoyl)phenyl]propanenitrile Openeye Name: ethoxyethane; 2-[2-(2-hydroxy-2-phenyl-acetyl)phenyl]propanenitrile CAS Name: ethoxyethane; 2-[2-(2-hydroxy-1-oxo-2-phenylethyl)phenyl]propanenitrile IUPAC Name: ethoxyethane; 2-[2-(2-hydroxy-2-phenylacetyl)phenyl]propanenitrile Traditional Name: ethoxyethane; 2-(2-mandeloylphenyl)propionitrile Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC.CC(C#N)C1=CC=CC=C1C(=O)C(C2=CC=CC=C2)O

Isomeric SMILES

CCOCC.CC(C#N)C1=CC=CC=C1C(=O)C(C2=CC=CC=C2)O

InChI

InChI=1S/C17H15NO2.C4H10O/c1-12(11-18)14-9-5-6-10-15(14)17(20)16(19)13-7-3-2-4-8-13;1-3-5-4-2/h2-10,12,16,19H,1H3;3-4H2,1-2H3