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

Systemtic Name: methyl 4-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]benzoate Openeye Name: methyl 4-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]benzoate CAS Name: 4-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]benzoate Traditional Name: 4-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]benzoic acid methyl ester Formula: C25H22O3 MolecularWeight: 370.44038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H22O3/c1-3-18-28-24-16-8-20(9-17-24)5-4-19-6-10-21(11-7-19)22-12-14-23(15-13-22)25(26)27-2/h6-17H,3,18H2,1-2H3