3-[4-[2-(3,5-dimethylphenyl)ethynyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(3,5-dimethylphenyl)ethynyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(3,5-dimethylphenyl)ethynyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(3,5-dimethylphenyl)ethynyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(3,5-dimethylphenyl)ethynyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(3,5-dimethylphenyl)ethynyl]phenyl]propionic acid Formula: C19H18O2 MolecularWeight: 278.34502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C#CC2=CC=C(C=C2)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C#CC2=CC=C(C=C2)CCC(=O)O)C

InChI

InChI=1S/C19H18O2/c1-14-11-15(2)13-18(12-14)8-7-16-3-5-17(6-4-16)9-10-19(20)21/h3-6,11-13H,9-10H2,1-2H3,(H,20,21)