3-[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methoxy]phenyl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methoxy]phenyl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[4-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methoxy]phenyl]-3-oxo-propanenitrile CAS Name: 3-[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]phenyl]-3-oxopropanenitrile IUPAC Name: 3-[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]phenyl]-3-oxopropanenitrile Traditional Name: 3-[4-(4-acetyl-3-hydroxy-2-propyl-benzyl)oxyphenyl]-3-keto-propionitrile Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)COC2=CC=C(C=C2)C(=O)CC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)COC2=CC=C(C=C2)C(=O)CC#N

InChI

InChI=1S/C21H21NO4/c1-3-4-19-16(7-10-18(14(2)23)21(19)25)13-26-17-8-5-15(6-9-17)20(24)11-12-22/h5-10,25H,3-4,11,13H2,1-2H3