ethyl 4-[(E)-4-[2-(4-methylphenyl)phenyl]but-1-en-3-ynyl]benzoate

Systemtic Name: ethyl 4-[(E)-4-[2-(4-methylphenyl)phenyl]but-1-en-3-ynyl]benzoate Openeye Name: ethyl 4-[(E)-4-[2-(p-tolyl)phenyl]but-1-en-3-ynyl]benzoate CAS Name: 4-[(E)-4-[2-(4-methylphenyl)phenyl]but-1-en-3-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-4-[2-(4-methylphenyl)phenyl]but-1-en-3-ynyl]benzoate Traditional Name: 4-[(E)-4-[2-(p-tolyl)phenyl]but-1-en-3-ynyl]benzoic acid ethyl ester Formula: C26H22O2 MolecularWeight: 366.45168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=CC#CC2=CC=CC=C2C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C/C#CC2=CC=CC=C2C3=CC=C(C=C3)C

InChI

InChI=1S/C26H22O2/c1-3-28-26(27)24-18-14-21(15-19-24)8-4-5-9-22-10-6-7-11-25(22)23-16-12-20(2)13-17-23/h4,6-8,10-19H,3H2,1-2H3/b8-4+