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

Systemtic Name: ethanedioic acid; 3-[[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid CAS Name: 3-[[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]methyl]-1H-indole; oxalic acid IUPAC Name: 3-[[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid Traditional Name: 3-[[4-(3-ethoxy-4-methoxy-benzyl)piperazino]methyl]-1H-indole; oxalic acid Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2.C2H2O4/c1-3-28-23-14-18(8-9-22(23)27-2)16-25-10-12-26(13-11-25)17-19-15-24-21-7-5-4-6-20(19)21;3-1(4)2(5)6/h4-9,14-15,24H,3,10-13,16-17H2,1-2H3;(H,3,4)(H,5,6)