1-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-(4-bromo-2-fluoro-phenoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-(4-bromo-2-fluoro-phenoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C18H15BrFNO4 MolecularWeight: 408.218403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)COC3=C(C=C(C=C3)Br)F)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)COC3=C(C=C(C=C3)Br)F)C(=O)O

InChI

InChI=1S/C18H15BrFNO4/c19-11-6-7-16(14(20)9-11)25-10-17(22)21-8-2-4-12-13(18(23)24)3-1-5-15(12)21/h1,3,5-7,9H,2,4,8,10H2,(H,23,24)