4-bromanyl-5-(4-pyrrolidin-2-ylcarbonylpiperazin-1-yl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-bromanyl-5-(4-pyrrolidin-2-ylcarbonylpiperazin-1-yl)-1-benzofuran-2-carboxylic acid Openeye Name: 4-bromo-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 4-bromo-5-[4-[oxo(2-pyrrolidinyl)methyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-bromo-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-bromo-5-(4-prolylpiperazino)coumarilic acid Formula: C18H20BrN3O4 MolecularWeight: 422.2731

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCN(CC2)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Br

Isomeric SMILES

C1CC(NC1)C(=O)N2CCN(CC2)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Br

InChI

InChI=1S/C18H20BrN3O4/c19-16-11-10-15(18(24)25)26-14(11)4-3-13(16)21-6-8-22(9-7-21)17(23)12-2-1-5-20-12/h3-4,10,12,20H,1-2,5-9H2,(H,24,25)