3-[4-[2-(2-methylphenyl)ethynyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(2-methylphenyl)ethynyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(o-tolyl)ethynyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(2-methylphenyl)ethynyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(2-methylphenyl)ethynyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(o-tolyl)ethynyl]phenyl]propionic acid Formula: C18H16O2 MolecularWeight: 264.31844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C#CC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C#CC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C18H16O2/c1-14-4-2-3-5-17(14)12-10-15-6-8-16(9-7-15)11-13-18(19)20/h2-9H,11,13H2,1H3,(H,19,20)