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

Systemtic Name: methyl 2-methyl-4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Openeye Name: methyl 2-methyl-4-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoate CAS Name: 2-methyl-4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-4-[(E)-4-[2-(4-methylphenyl)phenyl]but-3-en-1-ynyl]benzoate Traditional Name: 2-methyl-4-[(E)-4-[2-(p-tolyl)phenyl]but-3-en-1-ynyl]benzoic acid methyl ester Formula: C26H22O2 MolecularWeight: 366.45168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C=CC#CC3=CC(=C(C=C3)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C26H22O2/c1-19-12-15-23(16-13-19)25-11-7-6-10-22(25)9-5-4-8-21-14-17-24(20(2)18-21)26(27)28-3/h5-7,9-18H,1-3H3/b9-5+