ethoxyethane; 3-[2-(2-oxidanyl-2-phenyl-ethanoyl)phenyl]propanenitrile

Systemtic Name: ethoxyethane; 3-[2-(2-oxidanyl-2-phenyl-ethanoyl)phenyl]propanenitrile Openeye Name: ethoxyethane; 3-[2-(2-hydroxy-2-phenyl-acetyl)phenyl]propanenitrile CAS Name: ethoxyethane; 3-[2-(2-hydroxy-1-oxo-2-phenylethyl)phenyl]propanenitrile IUPAC Name: ethoxyethane; 3-[2-(2-hydroxy-2-phenylacetyl)phenyl]propanenitrile Traditional Name: ethoxyethane; 3-(2-mandeloylphenyl)propionitrile Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC.C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2CCC#N)O

Isomeric SMILES

CCOCC.C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2CCC#N)O

InChI

InChI=1S/C17H15NO2.C4H10O/c18-12-6-10-13-7-4-5-11-15(13)17(20)16(19)14-8-2-1-3-9-14;1-3-5-4-2/h1-5,7-9,11,16,19H,6,10H2;3-4H2,1-2H3