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

Systemtic Name: 4-[2-[(E)-(2-butyl-1-benzofuran-3-yl)methylideneamino]oxyethoxy]-3-chloranyl-benzoic acid Openeye Name: 4-[2-[(E)-(2-butylbenzofuran-3-yl)methyleneamino]oxyethoxy]-3-chloro-benzoic acid CAS Name: 4-[2-[(E)-(2-butyl-3-benzofuranyl)methylideneamino]oxyethoxy]-3-chlorobenzoic acid IUPAC Name: 4-[2-[(E)-(2-butyl-1-benzofuran-3-yl)methylideneamino]oxyethoxy]-3-chlorobenzoic acid Traditional Name: 4-[2-[(E)-(2-butylbenzofuran-3-yl)methyleneamino]oxyethoxy]-3-chloro-benzoic acid Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C=NOCCOC3=C(C=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)/C=N/OCCOC3=C(C=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C22H22ClNO5/c1-2-3-7-20-17(16-6-4-5-8-19(16)29-20)14-24-28-12-11-27-21-10-9-15(22(25)26)13-18(21)23/h4-6,8-10,13-14H,2-3,7,11-12H2,1H3,(H,25,26)/b24-14+