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

Systemtic Name: 3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]benzonitrile CAS Name: 3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]benzonitrile IUPAC Name: 3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]benzonitrile Traditional Name: 3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]benzonitrile Formula: C19H19NO3 MolecularWeight: 309.35906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO3/c1-3-5-17-18(9-8-16(13(2)21)19(17)22)23-12-15-7-4-6-14(10-15)11-20/h4,6-10,22H,3,5,12H2,1-2H3