methyl 4-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]benzoate

Systemtic Name: methyl 4-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]benzoate Openeye Name: methyl 4-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]benzoate CAS Name: 4-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-(4-pentoxyphenyl)ethynyl]phenyl]benzoate Traditional Name: 4-[4-[2-(4-amoxyphenyl)ethynyl]phenyl]benzoic acid methyl ester Formula: C27H26O3 MolecularWeight: 398.49354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H26O3/c1-3-4-5-20-30-26-18-10-22(11-19-26)7-6-21-8-12-23(13-9-21)24-14-16-25(17-15-24)27(28)29-2/h8-19H,3-5,20H2,1-2H3