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

Systemtic Name: methyl 4-[(E)-4-[2-(3-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[2-(m-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-(3-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[2-(3-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[2-(m-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(=C1)C2=CC=CC=C2C=CC#CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H20O2/c1-19-8-7-12-23(18-19)24-13-6-5-11-21(24)10-4-3-9-20-14-16-22(17-15-20)25(26)27-2/h4-8,10-18H,1-2H3/b10-4+