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

Systemtic Name: methyl 4-[(E)-4-[2-(4-methoxyphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[2-(4-methoxyphenyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-(4-methoxyphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[2-(4-methoxyphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[2-(4-methoxyphenyl)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:

COC1=CC=C(C=C1)C2=CC=CC=C2C=CC#CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2/C=C/C#CC3=CC=C(C=C3)C(=O)OC

InChI

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