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

Systemtic Name: 2-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]pyridine-3-carboxylate Openeye Name: 2-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]pyridine-3-carboxylate CAS Name: 2-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]-3-pyridinecarboxylate IUPAC Name: 2-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]pyridine-3-carboxylate Traditional Name: 2-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]nicotinate Formula: C23H16NO2- MolecularWeight: 338.37864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C=CC#CC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2/C=C/C#CC3=C(C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C23H17NO2/c1-17-12-14-19(15-13-17)20-9-4-2-7-18(20)8-3-5-11-22-21(23(25)26)10-6-16-24-22/h2-4,6-10,12-16H,1H3,(H,25,26)/p-1/b8-3+