8-(phenylmethyl)-4-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: 8-(phenylmethyl)-4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: 8-benzyl-4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 8-(phenylmethyl)-4-(trifluoromethyl)-3-quinolinecarboxylate IUPAC Name: 8-benzyl-4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 8-benzyl-4-(trifluoromethyl)quinoline-3-carboxylate Formula: C18H11F3NO2- MolecularWeight: 330.28065

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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)/p-1