2-[2-bromanyl-6-(3-chlorophenyl)-4-(dodecylcarbamoyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2-bromanyl-6-(3-chlorophenyl)-4-(dodecylcarbamoyl)phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-6-(3-chlorophenyl)-4-(dodecylcarbamoyl)phenoxy]acetic acid CAS Name: 2-[2-bromo-6-(3-chlorophenyl)-4-[(dodecylamino)-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[2-bromo-6-(3-chlorophenyl)-4-(dodecylcarbamoyl)phenoxy]acetic acid Traditional Name: 2-[2-bromo-6-(3-chlorophenyl)-4-(laurylcarbamoyl)phenoxy]acetic acid Formula: C27H35BrClNO4 MolecularWeight: 552.9281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35BrClNO4/c1-2-3-4-5-6-7-8-9-10-11-15-30-27(33)21-17-23(20-13-12-14-22(29)16-20)26(24(28)18-21)34-19-25(31)32/h12-14,16-18H,2-11,15,19H2,1H3,(H,30,33)(H,31,32)