3-phenylmethoxy-6-[2,2,3,3-tetrakis(fluoranyl)propoxy]quinoline-2-carboxylic acid

Systemtic Name: 3-phenylmethoxy-6-[2,2,3,3-tetrakis(fluoranyl)propoxy]quinoline-2-carboxylic acid Openeye Name: 3-benzyloxy-6-(2,2,3,3-tetrafluoropropoxy)quinoline-2-carboxylic acid CAS Name: 3-phenylmethoxy-6-(2,2,3,3-tetrafluoropropoxy)-2-quinolinecarboxylic acid IUPAC Name: 3-phenylmethoxy-6-(2,2,3,3-tetrafluoropropoxy)quinoline-2-carboxylic acid Traditional Name: 3-benzoxy-6-(2,2,3,3-tetrafluoropropoxy)quinaldic acid Formula: C20H15F4NO4 MolecularWeight: 409.331013

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(N=C3C=CC(=CC3=C2)OCC(C(F)F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(N=C3C=CC(=CC3=C2)OCC(C(F)F)(F)F)C(=O)O

InChI

InChI=1S/C20H15F4NO4/c21-19(22)20(23,24)11-29-14-6-7-15-13(8-14)9-16(17(25-15)18(26)27)28-10-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H,26,27)