2-[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylamino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylamino]phenyl]acetonitrile CAS Name: 2-[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methylamino]phenyl]acetonitrile Traditional Name: 2-[4-[(4-acetyl-3-hydroxy-2-propyl-benzyl)amino]phenyl]acetonitrile Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CNC2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CNC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C20H22N2O2/c1-3-4-19-16(7-10-18(14(2)23)20(19)24)13-22-17-8-5-15(6-9-17)11-12-21/h5-10,22,24H,3-4,11,13H2,1-2H3