6-bromanyl-4-[6-bromanyl-7-methoxy-5-(2-pyrrolidin-1-ylethoxycarbonyl)-1,3-benzodioxol-4-yl]-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylic acid

Systemtic Name: 6-bromanyl-4-[6-bromanyl-7-methoxy-5-(2-pyrrolidin-1-ylethoxycarbonyl)-1,3-benzodioxol-4-yl]-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylic acid Openeye Name: 6-bromo-4-[6-bromo-7-methoxy-5-(2-pyrrolidin-1-ylethoxycarbonyl)-1,3-benzodioxol-4-yl]-7-methoxy-2,3-dihydrobenzofuran-5-carboxylic acid CAS Name: 6-bromo-4-[6-bromo-7-methoxy-5-[oxo-[2-(1-pyrrolidinyl)ethoxy]methyl]-1,3-benzodioxol-4-yl]-7-methoxy-2,3-dihydrobenzofuran-5-carboxylic acid IUPAC Name: 6-bromo-4-[6-bromo-7-methoxy-5-(2-pyrrolidin-1-ylethoxycarbonyl)-1,3-benzodioxol-4-yl]-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylic acid Traditional Name: 6-bromo-4-[6-bromo-7-methoxy-5-(2-pyrrolidinoethoxycarbonyl)-1,3-benzodioxol-4-yl]-7-methoxy-coumaran-5-carboxylic acid Formula: C25H25Br2NO9 MolecularWeight: 643.2753

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1OCC2)C3=C(C(=C(C4=C3OCO4)OC)Br)C(=O)OCCN5CCCC5)C(=O)O)Br

Isomeric SMILES

COC1=C(C(=C(C2=C1OCC2)C3=C(C(=C(C4=C3OCO4)OC)Br)C(=O)OCCN5CCCC5)C(=O)O)Br

InChI

InChI=1S/C25H25Br2NO9/c1-32-21-17(26)15(24(29)30)13(12-5-9-34-19(12)21)14-16(25(31)35-10-8-28-6-3-4-7-28)18(27)22(33-2)23-20(14)36-11-37-23/h3-11H2,1-2H3,(H,29,30)