4-[(E)-3-[(4-cyanophenyl)methyl]-2-(hydroxymethyl)-6-oxidanyl-hex-2-en-4-ynyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[(4-cyanophenyl)methyl]-2-(hydroxymethyl)-6-oxidanyl-hex-2-en-4-ynyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[(4-cyanophenyl)methyl]-6-hydroxy-2-(hydroxymethyl)hex-2-en-4-ynyl]benzonitrile CAS Name: 4-[(E)-3-[(4-cyanophenyl)methyl]-6-hydroxy-2-(hydroxymethyl)hex-2-en-4-ynyl]benzonitrile IUPAC Name: 4-[(E)-3-[(4-cyanophenyl)methyl]-6-hydroxy-2-(hydroxymethyl)hex-2-en-4-ynyl]benzonitrile Traditional Name: 4-[(E)-3-(4-cyanobenzyl)-6-hydroxy-2-methylol-hex-2-en-4-ynyl]benzonitrile Formula: C22H18N2O2 MolecularWeight: 342.39052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=C(CC2=CC=C(C=C2)C#N)C#CCO)CO)C#N

Isomeric SMILES

C1=CC(=CC=C1C/C(=C(/CC2=CC=C(C=C2)C#N)\C#CCO)/CO)C#N

InChI

InChI=1S/C22H18N2O2/c23-14-19-7-3-17(4-8-19)12-21(2-1-11-25)22(16-26)13-18-5-9-20(15-24)10-6-18/h3-10,25-26H,11-13,16H2/b22-21-