2-[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]benzonitrile CAS Name: 2-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]benzonitrile IUPAC Name: 2-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]benzonitrile Traditional Name: 2-[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]benzonitrile Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CC(=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CC(=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C25H23NO3/c1-3-7-23-24(13-12-21(17(2)27)25(23)28)29-16-18-8-6-10-19(14-18)22-11-5-4-9-20(22)15-26/h4-6,8-14,28H,3,7,16H2,1-2H3