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

Systemtic Name: 6-bromanyl-4-[6-bromanyl-7-methoxy-5-(2-pyrrolidin-1-ylethylcarbamoyl)-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-bromo-4-[6-bromo-7-methoxy-5-(2-pyrrolidin-1-ylethylcarbamoyl)-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-bromo-4-[6-bromo-7-methoxy-5-[oxo-[2-(1-pyrrolidinyl)ethylamino]methyl]-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-bromo-4-[6-bromo-7-methoxy-5-(2-pyrrolidin-1-ylethylcarbamoyl)-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-bromo-4-[6-bromo-7-methoxy-5-(2-pyrrolidinoethylcarbamoyl)-1,3-benzodioxol-4-yl]-7-methoxy-piperonylic acid Formula: C24H24Br2N2O9 MolecularWeight: 644.26336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1OCO2)C3=C(C(=C(C4=C3OCO4)OC)Br)C(=O)O)C(=O)NCCN5CCCC5)Br

Isomeric SMILES

COC1=C(C(=C(C2=C1OCO2)C3=C(C(=C(C4=C3OCO4)OC)Br)C(=O)O)C(=O)NCCN5CCCC5)Br

InChI

InChI=1S/C24H24Br2N2O9/c1-32-19-15(25)13(23(29)27-5-8-28-6-3-4-7-28)11(17-21(19)36-9-34-17)12-14(24(30)31)16(26)20(33-2)22-18(12)35-10-37-22/h3-10H2,1-2H3,(H,27,29)(H,30,31)