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

Systemtic Name: 3-bromanyl-5-[4-(phenylmethyl)piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-(4-benzylpiperazin-1-yl)-3-bromo-benzofuran-2-carboxylic acid CAS Name: 3-bromo-5-[4-(phenylmethyl)-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 5-(4-benzylpiperazin-1-yl)-3-bromo-1-benzofuran-2-carboxylic acid Traditional Name: 5-(4-benzylpiperazino)-3-bromo-coumarilic acid Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC4=C(C=C3)OC(=C4Br)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC4=C(C=C3)OC(=C4Br)C(=O)O

InChI

InChI=1S/C20H19BrN2O3/c21-18-16-12-15(6-7-17(16)26-19(18)20(24)25)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,24,25)