5-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]pyridine-2-carboxylic acid

Systemtic Name: 5-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]pyridine-2-carboxylic acid Openeye Name: 5-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]pyridine-2-carboxylic acid CAS Name: 5-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]pyridine-2-carboxylic acid Traditional Name: 5-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]picolinic acid Formula: C23H17NO2 MolecularWeight: 339.38658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C=CC#CC3=CN=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2/C=C/C#CC3=CN=C(C=C3)C(=O)O

InChI

InChI=1S/C23H17NO2/c1-17-10-13-20(14-11-17)21-9-5-4-8-19(21)7-3-2-6-18-12-15-22(23(25)26)24-16-18/h3-5,7-16H,1H3,(H,25,26)/b7-3+