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

Systemtic Name: 4-bromanyl-5-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-bromo-5-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 4-bromo-5-[4-[(3,5-dimethoxyphenyl)methyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-bromo-5-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-bromo-5-[4-(3,5-dimethoxybenzyl)piperazino]coumarilic acid Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCN(CC2)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCN(CC2)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Br)OC

InChI

InChI=1S/C22H23BrN2O5/c1-28-15-9-14(10-16(11-15)29-2)13-24-5-7-25(8-6-24)18-3-4-19-17(21(18)23)12-20(30-19)22(26)27/h3-4,9-12H,5-8,13H2,1-2H3,(H,26,27)