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

Systemtic Name: methyl 4-[(E)-4-[3-(3-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[3-(m-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[3-(3-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[3-(3-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[3-(m-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester Formula: C25H20O2 MolecularWeight: 352.4251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC=C2)C=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/c1-19-7-5-11-23(17-19)24-12-6-10-21(18-24)9-4-3-8-20-13-15-22(16-14-20)25(26)27-2/h4-7,9-18H,1-2H3/b9-4+