3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-[4-(2,3-dihydrobenzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-[4-(2,3-dihydrobenzofuran-5-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[4-(4-coumaran-5-ylpiperazino)butyl]-1H-indole-5-carboxylic acid Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C(=O)O

Isomeric SMILES

C1COC2=C1C=C(C=C2)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C(=O)O

InChI

InChI=1S/C25H29N3O3/c29-25(30)19-4-6-23-22(16-19)20(17-26-23)3-1-2-9-27-10-12-28(13-11-27)21-5-7-24-18(15-21)8-14-31-24/h4-7,15-17,26H,1-3,8-14H2,(H,29,30)