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

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO2/c1-18-11-13-20(14-12-18)23-10-6-4-8-19(23)7-3-5-9-22-16-15-21(17-25-22)24(26)27-2/h3-4,6-8,10-17H,1-2H3/b7-3+