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

Systemtic Name: 3-[4-[2-(3-cyanophenyl)ethynyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(3-cyanophenyl)ethynyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(3-cyanophenyl)ethynyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(3-cyanophenyl)ethynyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(3-cyanophenyl)ethynyl]phenyl]propionic acid Formula: C18H13NO2 MolecularWeight: 275.30132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C#N)C#CC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C#N)C#CC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C18H13NO2/c19-13-17-3-1-2-16(12-17)9-8-14-4-6-15(7-5-14)10-11-18(20)21/h1-7,12H,10-11H2,(H,20,21)