4-[(E)-3-[(4-cyanophenyl)methyl]-2-(2-hydroxyethyl)-7-oxidanyl-hept-2-en-4-ynyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[(4-cyanophenyl)methyl]-2-(2-hydroxyethyl)-7-oxidanyl-hept-2-en-4-ynyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[(4-cyanophenyl)methyl]-7-hydroxy-2-(2-hydroxyethyl)hept-2-en-4-ynyl]benzonitrile CAS Name: 4-[(E)-3-[(4-cyanophenyl)methyl]-7-hydroxy-2-(2-hydroxyethyl)hept-2-en-4-ynyl]benzonitrile IUPAC Name: 4-[(E)-3-[(4-cyanophenyl)methyl]-7-hydroxy-2-(2-hydroxyethyl)hept-2-en-4-ynyl]benzonitrile Traditional Name: 4-[(E)-3-(4-cyanobenzyl)-7-hydroxy-2-(2-hydroxyethyl)hept-2-en-4-ynyl]benzonitrile Formula: C24H22N2O2 MolecularWeight: 370.44368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O2/c25-17-21-8-4-19(5-9-21)15-23(3-1-2-13-27)24(12-14-28)16-20-6-10-22(18-26)11-7-20/h4-11,27-28H,2,12-16H2/b24-23+