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

Systemtic Name: ethyl 5-[3-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanyl-propoxy]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxy-propoxy]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxypropoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxypropoxy]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[2-hydroxy-3-(piperonylamino)propoxy]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C28H27NO7 MolecularWeight: 489.51648

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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

Isomeric SMILES

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

InChI

InChI=1S/C28H27NO7/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