ethyl 5-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propoxy]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propoxy]-1H-indole-2-carboxylate Openeye Name: ethyl 5-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propoxy]-1H-indole-2-carboxylate CAS Name: 5-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]propoxy]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propoxy]-1H-indole-2-carboxylate Traditional Name: 5-[3-(4-piperonylpiperazino)propoxy]-1H-indole-2-carboxylic acid ethyl ester Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCCCN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCCCN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H31N3O5/c1-2-31-26(30)23-16-20-15-21(5-6-22(20)27-23)32-13-3-8-28-9-11-29(12-10-28)17-19-4-7-24-25(14-19)34-18-33-24/h4-7,14-16,27H,2-3,8-13,17-18H2,1H3