4-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline-3-carboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1H-isoquinoline-3-carboxylic acid Formula: C24H16F3NO4 MolecularWeight: 439.38335

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=C(N1C3=CC=CC=C3C(F)(F)F)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2=CC=CC=C2C(=C(N1C3=CC=CC=C3C(F)(F)F)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H16F3NO4/c25-24(26,27)17-7-3-4-8-18(17)28-12-15-5-1-2-6-16(15)21(22(28)23(29)30)14-9-10-19-20(11-14)32-13-31-19/h1-11H,12-13H2,(H,29,30)