5-[4-[4-(5-fluoranyl-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[4-[4-(5-fluoranyl-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazino]coumarilic acid Formula: C25H26FN3O3 MolecularWeight: 435.490643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)F)C4=CC5=C(C=C4)OC(=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)F)C4=CC5=C(C=C4)OC(=C5)C(=O)O

InChI

InChI=1S/C25H26FN3O3/c26-19-4-6-22-21(15-19)17(16-27-22)3-1-2-8-28-9-11-29(12-10-28)20-5-7-23-18(13-20)14-24(32-23)25(30)31/h4-7,13-16,27H,1-3,8-12H2,(H,30,31)