5-[4-[4-(5,6-dimethoxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[4-[4-(5,6-dimethoxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[4-[4-(5,6-dimethoxy-1H-indol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 5-[4-[4-(5,6-dimethoxy-1H-indol-3-yl)butyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[4-[4-(5,6-dimethoxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[4-[4-(5,6-dimethoxy-1H-indol-3-yl)butyl]piperazino]coumarilic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN2)CCCCN3CCN(CC3)C4=CC5=C(C=C4)OC(=C5)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN2)CCCCN3CCN(CC3)C4=CC5=C(C=C4)OC(=C5)C(=O)O)OC

InChI

InChI=1S/C27H31N3O5/c1-33-24-15-21-18(17-28-22(21)16-25(24)34-2)5-3-4-8-29-9-11-30(12-10-29)20-6-7-23-19(13-20)14-26(35-23)27(31)32/h6-7,13-17,28H,3-5,8-12H2,1-2H3,(H,31,32)