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

Systemtic Name: 3-methoxy-4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: 3-methoxy-4-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 3-methoxy-4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 3-methoxy-4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 3-methoxy-4-[(E)-4-[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=CC=CC=C2C=CC#CC3=C(C=C(C=C3)C(=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C25H20O3/c1-18-11-13-20(14-12-18)23-10-6-5-8-19(23)7-3-4-9-21-15-16-22(25(26)27)17-24(21)28-2/h3,5-8,10-17H,1-2H3,(H,26,27)/p-1/b7-3+