ethyl 5-[3-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanyl-propoxy]-2-phenyl-1-benzofuran-3-carboxylate hydrochloride

Systemtic Name: ethyl 5-[3-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanyl-propoxy]-2-phenyl-1-benzofuran-3-carboxylate hydrochloride Openeye Name: ethyl 5-[3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxy-propoxy]-2-phenyl-benzofuran-3-carboxylate hydrochloride CAS Name: 5-[3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxypropoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-[3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxypropoxy]-2-phenyl-1-benzofuran-3-carboxylate hydrochloride Traditional Name: 5-[2-hydroxy-3-(piperonylamino)propoxy]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester hydrochloride Formula: C28H28ClNO7 MolecularWeight: 525.97742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(CNCC3=CC4=C(C=C3)OCO4)O)C5=CC=CC=C5.Cl

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(CNCC3=CC4=C(C=C3)OCO4)O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C28H27NO7.ClH/c1-2-32-28(31)26-22-13-21(9-11-23(22)36-27(26)19-6-4-3-5-7-19)33-16-20(30)15-29-14-18-8-10-24-25(12-18)35-17-34-24;/h3-13,20,29-30H,2,14-17H2,1H3;1H