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

Systemtic Name: 4-bromanyl-5-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-bromo-5-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 4-bromo-5-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-bromo-5-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-bromo-5-[4-(3-phenoxybenzyl)piperazino]coumarilic acid Formula: C26H23BrN2O4 MolecularWeight: 507.37582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C4=C(C5=C(C=C4)OC(=C5)C(=O)O)Br

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C4=C(C5=C(C=C4)OC(=C5)C(=O)O)Br

InChI

InChI=1S/C26H23BrN2O4/c27-25-21-16-24(26(30)31)33-23(21)10-9-22(25)29-13-11-28(12-14-29)17-18-5-4-8-20(15-18)32-19-6-2-1-3-7-19/h1-10,15-16H,11-14,17H2,(H,30,31)