(3,5-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone; ethanedioic acid

Systemtic Name: (3,5-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: (3,5-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3,5-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3,5-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3,5-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazino]methanone; oxalic acid Formula: C24H27N3O7 MolecularWeight: 469.48708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CNC4=CC=CC=C43)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CNC4=CC=CC=C43)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25N3O3.C2H2O4/c1-27-18-11-16(12-19(13-18)28-2)22(26)25-9-7-24(8-10-25)15-17-14-23-21-6-4-3-5-20(17)21;3-1(4)2(5)6/h3-6,11-14,23H,7-10,15H2,1-2H3;(H,3,4)(H,5,6)