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

Systemtic Name: methyl 4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester Formula: C25H20O2 MolecularWeight: 352.4251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C=CC#CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H20O2/c1-19-11-15-22(16-12-19)24-10-6-5-9-21(24)8-4-3-7-20-13-17-23(18-14-20)25(26)27-2/h4-6,8-18H,1-2H3/b8-4+