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

Systemtic Name: methyl 4-[(E)-4-[2-(4-methylphenyl)phenyl]pent-3-en-1-ynyl]benzoate Openeye Name: methyl 4-[(E)-4-[2-(p-tolyl)phenyl]pent-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-(4-methylphenyl)phenyl]pent-3-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-[2-(4-methylphenyl)phenyl]pent-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[2-(p-tolyl)phenyl]pent-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/c1-19-11-15-22(16-12-19)25-10-5-4-9-24(25)20(2)7-6-8-21-13-17-23(18-14-21)26(27)28-3/h4-5,7,9-18H,1-3H3/b20-7+