methyl 4-[(E)-4-(2-pyridin-3-ylphenyl)but-3-en-1-ynyl]benzoate

Systemtic Name: methyl 4-[(E)-4-(2-pyridin-3-ylphenyl)but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[2-(3-pyridyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-(3-pyridinyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-(2-pyridin-3-ylphenyl)but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[2-(3-pyridyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester Formula: C23H17NO2 MolecularWeight: 339.38658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC=CC2=CC=CC=C2C3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#C/C=C/C2=CC=CC=C2C3=CN=CC=C3

InChI

InChI=1S/C23H17NO2/c1-26-23(25)20-14-12-18(13-15-20)7-2-3-8-19-9-4-5-11-22(19)21-10-6-16-24-17-21/h3-6,8-17H,1H3/b8-3+