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

Systemtic Name: methyl 4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]-3-oxidanyl-benzoate Openeye Name: methyl 3-hydroxy-4-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 3-hydroxy-4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 3-hydroxy-4-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester Formula: C25H20O3 MolecularWeight: 368.4245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20O3/c1-18-11-13-20(14-12-18)23-10-6-5-8-19(23)7-3-4-9-21-15-16-22(17-24(21)26)25(27)28-2/h3,5-8,10-17,26H,1-2H3/b7-3+