methyl 4-[(E)-4-[2-(4-methylphenyl)-5-oxidanyl-phenyl]but-3-en-1-ynyl]benzoate

Systemtic Name: methyl 4-[(E)-4-[2-(4-methylphenyl)-5-oxidanyl-phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[5-hydroxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[5-hydroxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[5-hydroxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[5-hydroxy-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=C(C=C(C=C2)O)C=CC#CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H20O3/c1-18-7-11-20(12-8-18)24-16-15-23(26)17-22(24)6-4-3-5-19-9-13-21(14-10-19)25(27)28-2/h4,6-17,26H,1-2H3/b6-4+