ethanedioic acid; 3-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole

Systemtic Name: ethanedioic acid; 3-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid CAS Name: 3-[[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]methyl]-1H-indole; oxalic acid IUPAC Name: 3-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid Traditional Name: 3-[[4-(4-ethoxybenzyl)piperazino]methyl]-1H-indole; oxalic acid Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H27N3O.C2H2O4/c1-2-26-20-9-7-18(8-10-20)16-24-11-13-25(14-12-24)17-19-15-23-22-6-4-3-5-21(19)22;3-1(4)2(5)6/h3-10,15,23H,2,11-14,16-17H2,1H3;(H,3,4)(H,5,6)