4-[8-(4-bromanyl-2-fluoranyl-phenyl)quinolin-4-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[8-(4-bromanyl-2-fluoranyl-phenyl)quinolin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[[8-(4-bromo-2-fluoro-phenyl)-4-quinolyl]oxy]piperidine-1-carboxylic acid CAS Name: 4-[[8-(4-bromo-2-fluorophenyl)-4-quinolinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[[8-(4-bromo-2-fluoro-phenyl)-4-quinolyl]oxy]piperidine-1-carboxylic acid Formula: C21H18BrFN2O3 MolecularWeight: 445.281623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=C3C=CC=C(C3=NC=C2)C4=C(C=C(C=C4)Br)F)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=C3C=CC=C(C3=NC=C2)C4=C(C=C(C=C4)Br)F)C(=O)O

InChI

InChI=1S/C21H18BrFN2O3/c22-13-4-5-15(18(23)12-13)16-2-1-3-17-19(6-9-24-20(16)17)28-14-7-10-25(11-8-14)21(26)27/h1-6,9,12,14H,7-8,10-11H2,(H,26,27)