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

Systemtic Name: methyl 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Openeye Name: methyl 3-[4-[4-(2,3-dihydrobenzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate CAS Name: 3-[4-[4-(2,3-dihydrobenzofuran-5-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Traditional Name: 3-[4-(4-coumaran-5-ylpiperazino)butyl]-1H-indole-5-carboxylic acid methyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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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)OCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H31N3O3/c1-31-26(30)20-5-7-24-23(17-20)21(18-27-24)4-2-3-10-28-11-13-29(14-12-28)22-6-8-25-19(16-22)9-15-32-25/h5-8,16-18,27H,2-4,9-15H2,1H3