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

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: (3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3,4-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=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CNC4=CC=CC=C43)OC.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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