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

Systemtic Name: 2-[2-bromanyl-4-(dodecylcarbamoyl)-6-(4-methoxyphenyl)phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-(dodecylcarbamoyl)-6-(4-methoxyphenyl)phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[(dodecylamino)-oxomethyl]-6-(4-methoxyphenyl)phenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-(dodecylcarbamoyl)-6-(4-methoxyphenyl)phenoxy]acetic acid Traditional Name: 2-[2-bromo-4-(laurylcarbamoyl)-6-(4-methoxyphenyl)phenoxy]acetic acid Formula: C28H38BrNO5 MolecularWeight: 548.50902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38BrNO5/c1-3-4-5-6-7-8-9-10-11-12-17-30-28(33)22-18-24(21-13-15-23(34-2)16-14-21)27(25(29)19-22)35-20-26(31)32/h13-16,18-19H,3-12,17,20H2,1-2H3,(H,30,33)(H,31,32)