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

Systemtic Name: methyl 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Openeye Name: methyl 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate CAS Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Traditional Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazino]butyl]-1H-indole-5-carboxylic acid methyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4COC5=CC=CC=C5O4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC=C2CCCCN3CCN(CC3)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C26H31N3O4/c1-31-26(30)19-9-10-22-21(16-19)20(17-27-22)6-4-5-11-28-12-14-29(15-13-28)25-18-32-23-7-2-3-8-24(23)33-25/h2-3,7-10,16-17,25,27H,4-6,11-15,18H2,1H3