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

Systemtic Name: methyl 4-[(E)-4-[2-(2-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[2-(o-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-(2-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[2-(2-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[2-(o-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=CC=C1C2=CC=CC=C2C=CC#CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=CC=CC=C2/C=C/C#CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H20O2/c1-19-9-3-7-13-23(19)24-14-8-6-12-21(24)11-5-4-10-20-15-17-22(18-16-20)25(26)27-2/h3,5-9,11-18H,1-2H3/b11-5+