6-bromanyl-4-[6-bromanyl-7-methoxy-5-(2-piperazin-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-piperazin-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-piperazin-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-piperazinyl)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-piperazin-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-piperazinoethylcarbamoyl)-1,3-benzodioxol-4-yl]-7-methoxy-piperonylic acid Formula: C24H25Br2N3O9 MolecularWeight: 659.278

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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)NCCN5CCNCC5)Br

Isomeric SMILES

COC1=C(C(=C(C2=C1OCO2)C3=C(C(=C(C4=C3OCO4)OC)Br)C(=O)O)C(=O)NCCN5CCNCC5)Br

InChI

InChI=1S/C24H25Br2N3O9/c1-33-19-15(25)13(23(30)28-5-8-29-6-3-27-4-7-29)11(17-21(19)37-9-35-17)12-14(24(31)32)16(26)20(34-2)22-18(12)36-10-38-22/h27H,3-10H2,1-2H3,(H,28,30)(H,31,32)