[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl quinoline-2-carboxylate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl quinoline-2-carboxylate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl quinoline-2-carboxylate Traditional Name: quinaldic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C25H18FNO4 MolecularWeight: 415.413123

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=NC5=CC=CC=C5C=C4)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)COC(=O)C4=NC5=CC=CC=C5C=C4)F

InChI

InChI=1S/C25H18FNO4/c26-20-12-18(14-29-24(28)22-11-10-16-6-4-5-9-21(16)27-22)23-19(13-20)15-30-25(31-23)17-7-2-1-3-8-17/h1-13,25H,14-15H2/t25-/m0/s1