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

Systemtic Name: methyl 5-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]pyridine-2-carboxylate Openeye Name: methyl 5-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]pyridine-2-carboxylate CAS Name: 5-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]pyridine-2-carboxylate Traditional Name: 5-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]picolinic acid methyl ester Formula: C24H19NO2 MolecularWeight: 353.41316

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO2/c1-18-11-14-21(15-12-18)22-10-6-5-9-20(22)8-4-3-7-19-13-16-23(25-17-19)24(26)27-2/h4-6,8-17H,1-2H3/b8-4+