2-[2-bromanyl-4-(dodecylcarbamoyl)-6-(2-fluorophenyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2-bromanyl-4-(dodecylcarbamoyl)-6-(2-fluorophenyl)phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-(dodecylcarbamoyl)-6-(2-fluorophenyl)phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[(dodecylamino)-oxomethyl]-6-(2-fluorophenyl)phenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-(dodecylcarbamoyl)-6-(2-fluorophenyl)phenoxy]acetic acid Traditional Name: 2-[2-bromo-6-(2-fluorophenyl)-4-(laurylcarbamoyl)phenoxy]acetic acid Formula: C27H35BrFNO4 MolecularWeight: 536.473503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=CC(=C(C(=C1)C2=CC=CC=C2F)OCC(=O)O)Br

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=CC(=C(C(=C1)C2=CC=CC=C2F)OCC(=O)O)Br

InChI

InChI=1S/C27H35BrFNO4/c1-2-3-4-5-6-7-8-9-10-13-16-30-27(33)20-17-22(21-14-11-12-15-24(21)29)26(23(28)18-20)34-19-25(31)32/h11-12,14-15,17-18H,2-10,13,16,19H2,1H3,(H,30,33)(H,31,32)