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

Systemtic Name: 5-[4-[4-(5-methoxycarbonyl-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[4-[4-(5-methoxycarbonyl-1H-indol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 5-[4-[4-(5-methoxycarbonyl-1H-indol-3-yl)butyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[4-[4-(5-methoxycarbonyl-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[4-[4-(5-carbomethoxy-1H-indol-3-yl)butyl]piperazino]coumarilic acid Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4=CC5=C(C=C4)OC(=C5)C(=O)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4=CC5=C(C=C4)OC(=C5)C(=O)O

InChI

InChI=1S/C27H29N3O5/c1-34-27(33)18-5-7-23-22(15-18)19(17-28-23)4-2-3-9-29-10-12-30(13-11-29)21-6-8-24-20(14-21)16-25(35-24)26(31)32/h5-8,14-17,28H,2-4,9-13H2,1H3,(H,31,32)