4-bromanyl-5-[4-(phenylcarbonyl)piperazin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-bromanyl-5-[4-(phenylcarbonyl)piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-(4-benzoylpiperazin-1-yl)-4-bromo-benzofuran-2-carboxylic acid CAS Name: 5-(4-benzoyl-1-piperazinyl)-4-bromo-2-benzofurancarboxylic acid IUPAC Name: 5-(4-benzoylpiperazin-1-yl)-4-bromo-1-benzofuran-2-carboxylic acid Traditional Name: 5-(4-benzoylpiperazino)-4-bromo-coumarilic acid Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Br)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Br)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H17BrN2O4/c21-18-14-12-17(20(25)26)27-16(14)7-6-15(18)22-8-10-23(11-9-22)19(24)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,25,26)