4-[(E)-2-[2-(2-oxidanyl-2-phenyl-ethyl)pyridin-3-yl]ethenyl]benzoate

Systemtic Name: 4-[(E)-2-[2-(2-oxidanyl-2-phenyl-ethyl)pyridin-3-yl]ethenyl]benzoate Openeye Name: 4-[(E)-2-[2-(2-hydroxy-2-phenyl-ethyl)-3-pyridyl]vinyl]benzoate CAS Name: 4-[(E)-2-[2-(2-hydroxy-2-phenylethyl)-3-pyridinyl]ethenyl]benzoate IUPAC Name: 4-[(E)-2-[2-(2-hydroxy-2-phenylethyl)pyridin-3-yl]ethenyl]benzoate Traditional Name: 4-[(E)-2-[2-(2-hydroxy-2-phenyl-ethyl)-3-pyridyl]vinyl]benzoate Formula: C22H18NO3- MolecularWeight: 344.38322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=C(C=CC=N2)C=CC3=CC=C(C=C3)C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=C(C=CC=N2)/C=C/C3=CC=C(C=C3)C(=O)[O-])O

InChI

InChI=1S/C22H19NO3/c24-21(18-5-2-1-3-6-18)15-20-17(7-4-14-23-20)11-8-16-9-12-19(13-10-16)22(25)26/h1-14,21,24H,15H2,(H,25,26)/p-1/b11-8+