2-[3-azanyl-2,6-bis(bromanyl)-4-[(2-butyl-1-benzofuran-3-yl)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-azanyl-2,6-bis(bromanyl)-4-[(2-butyl-1-benzofuran-3-yl)methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-amino-2,6-dibromo-4-[(2-butylbenzofuran-3-yl)methyl]phenoxy]acetic acid CAS Name: 2-[3-amino-2,6-dibromo-4-[(2-butyl-3-benzofuranyl)methyl]phenoxy]acetic acid IUPAC Name: 2-[3-amino-2,6-dibromo-4-[(2-butyl-1-benzofuran-3-yl)methyl]phenoxy]acetic acid Traditional Name: 2-[3-amino-2,6-dibromo-4-[(2-butylbenzofuran-3-yl)methyl]phenoxy]acetic acid Formula: C21H21Br2NO4 MolecularWeight: 511.20374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C(=C3N)Br)OCC(=O)O)Br

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C(=C3N)Br)OCC(=O)O)Br

InChI

InChI=1S/C21H21Br2NO4/c1-2-3-7-17-14(13-6-4-5-8-16(13)28-17)9-12-10-15(22)21(19(23)20(12)24)27-11-18(25)26/h4-6,8,10H,2-3,7,9,11,24H2,1H3,(H,25,26)