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

Systemtic Name: 2-[(E)-4-[4-methoxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 2-[(E)-4-[4-methoxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-[(E)-4-[4-methoxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 2-[(E)-4-[4-methoxy-2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-[(E)-4-[4-methoxy-2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate Formula: C25H19O3- MolecularWeight: 367.41656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=CC(=C2)OC)C=CC#CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=CC(=C2)OC)/C=C/C#CC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C25H20O3/c1-18-11-13-21(14-12-18)24-17-22(28-2)16-15-20(24)9-4-3-7-19-8-5-6-10-23(19)25(26)27/h4-6,8-17H,1-2H3,(H,26,27)/p-1/b9-4+