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

Systemtic Name: 5-[4-[2-(5-methoxycarbonyl-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[4-[2-(5-methoxycarbonyl-1H-indol-3-yl)ethyl]piperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 5-[4-[2-(5-methoxycarbonyl-1H-indol-3-yl)ethyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[4-[2-(5-methoxycarbonyl-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[4-[2-(5-carbomethoxy-1H-indol-3-yl)ethyl]piperazino]coumarilic acid Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC=C2CCN3CCN(CC3)C4=CC5=C(C=C4)OC(=C5)C(=O)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC=C2CCN3CCN(CC3)C4=CC5=C(C=C4)OC(=C5)C(=O)O

InChI

InChI=1S/C25H25N3O5/c1-32-25(31)16-2-4-21-20(13-16)17(15-26-21)6-7-27-8-10-28(11-9-27)19-3-5-22-18(12-19)14-23(33-22)24(29)30/h2-5,12-15,26H,6-11H2,1H3,(H,29,30)