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

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20O3/c1-18-11-14-21(15-12-18)22-10-6-5-9-20(22)8-4-3-7-19-13-16-23(24(26)17-19)25(27)28-2/h4-6,8-17,26H,1-2H3/b8-4+