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

Systemtic Name: 6-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]pyridine-3-carboxylic acid Openeye Name: 6-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]pyridine-3-carboxylic acid CAS Name: 6-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]pyridine-3-carboxylic acid Traditional Name: 6-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]nicotinic 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=NC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H17NO2/c1-17-10-12-19(13-11-17)22-9-5-3-7-18(22)6-2-4-8-21-15-14-20(16-24-21)23(25)26/h2-3,5-7,9-16H,1H3,(H,25,26)/b6-2+