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

Systemtic Name: ethanedioic acid; 3-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid CAS Name: 3-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]methyl]-1H-indole; oxalic acid IUPAC Name: 3-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid Traditional Name: oxalic acid; 3-[(4-p-anisylpiperazino)methyl]-1H-indole Formula: C23H27N3O5 MolecularWeight: 425.47758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25N3O.C2H2O4/c1-25-19-8-6-17(7-9-19)15-23-10-12-24(13-11-23)16-18-14-22-21-5-3-2-4-20(18)21;3-1(4)2(5)6/h2-9,14,22H,10-13,15-16H2,1H3;(H,3,4)(H,5,6)