2-bromanyl-4-[[(E)-(2-butyl-1-benzofuran-3-yl)methylideneamino]oxymethyl]benzoic acid

Systemtic Name: 2-bromanyl-4-[[(E)-(2-butyl-1-benzofuran-3-yl)methylideneamino]oxymethyl]benzoic acid Openeye Name: 2-bromo-4-[[(E)-(2-butylbenzofuran-3-yl)methyleneamino]oxymethyl]benzoic acid CAS Name: 2-bromo-4-[[(E)-(2-butyl-3-benzofuranyl)methylideneamino]oxymethyl]benzoic acid IUPAC Name: 2-bromo-4-[[(E)-(2-butyl-1-benzofuran-3-yl)methylideneamino]oxymethyl]benzoic acid Traditional Name: 2-bromo-4-[[(E)-(2-butylbenzofuran-3-yl)methyleneamino]oxymethyl]benzoic acid Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C=NOCC3=CC(=C(C=C3)C(=O)O)Br

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)/C=N/OCC3=CC(=C(C=C3)C(=O)O)Br

InChI

InChI=1S/C21H20BrNO4/c1-2-3-7-20-17(15-6-4-5-8-19(15)27-20)12-23-26-13-14-9-10-16(21(24)25)18(22)11-14/h4-6,8-12H,2-3,7,13H2,1H3,(H,24,25)/b23-12+