(2,3-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone; ethanedioic acid

Systemtic Name: (2,3-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: (2,3-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (2,3-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (2,3-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (2,3-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(=C1OC)C(=O)N2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

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