4-[4-[3-(3-ethanoylphenoxy)-2-oxidanyl-propoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[3-(3-ethanoylphenoxy)-2-oxidanyl-propoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[3-(3-acetylphenoxy)-2-hydroxy-propoxy]phenyl]benzonitrile CAS Name: 4-[4-[3-(3-acetylphenoxy)-2-hydroxypropoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[3-(3-acetylphenoxy)-2-hydroxypropoxy]phenyl]benzonitrile Traditional Name: 4-[4-[3-(3-acetylphenoxy)-2-hydroxy-propoxy]phenyl]benzonitrile Formula: C24H21NO4 MolecularWeight: 387.42784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C24H21NO4/c1-17(26)21-3-2-4-24(13-21)29-16-22(27)15-28-23-11-9-20(10-12-23)19-7-5-18(14-25)6-8-19/h2-13,22,27H,15-16H2,1H3