8-(phenylmethyl)-4-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 8-(phenylmethyl)-4-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 8-benzyl-4-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 8-(phenylmethyl)-4-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 8-benzyl-4-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 8-benzyl-4-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C18H12F3NO2 MolecularWeight: 331.28859

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC3=C(C(=CN=C32)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC3=C(C(=CN=C32)C(=O)O)C(F)(F)F

InChI

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