2-[1-[3-(trifluoromethyl)phenyl]isoquinolin-5-yl]ethanoic acid

Systemtic Name: 2-[1-[3-(trifluoromethyl)phenyl]isoquinolin-5-yl]ethanoic acid Openeye Name: 2-[1-[3-(trifluoromethyl)phenyl]-5-isoquinolyl]acetic acid CAS Name: 2-[1-[3-(trifluoromethyl)phenyl]-5-isoquinolinyl]acetic acid IUPAC Name: 2-[1-[3-(trifluoromethyl)phenyl]isoquinolin-5-yl]acetic acid Traditional Name: 2-[1-[3-(trifluoromethyl)phenyl]-5-isoquinolyl]acetic acid Formula: C18H12F3NO2 MolecularWeight: 331.28859

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=NC=CC3=C2C=CC=C3CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=NC=CC3=C2C=CC=C3CC(=O)O

InChI

InChI=1S/C18H12F3NO2/c19-18(20,21)13-5-1-4-12(9-13)17-15-6-2-3-11(10-16(23)24)14(15)7-8-22-17/h1-9H,10H2,(H,23,24)