ethanedioic acid; 1-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propyl]indole-3-carbaldehyde

Systemtic Name: ethanedioic acid; 1-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propyl]indole-3-carbaldehyde Openeye Name: 1-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propyl]indole-3-carbaldehyde; oxalic acid CAS Name: 1-[2-hydroxy-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-3-indolecarboxaldehyde; oxalic acid IUPAC Name: 1-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]indole-3-carbaldehyde; oxalic acid Traditional Name: 1-[3-(4-benzylpiperazino)-2-hydroxy-propyl]indole-3-carbaldehyde; oxalic acid Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(CN3C=C(C4=CC=CC=C43)C=O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(CN3C=C(C4=CC=CC=C43)C=O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H27N3O2.C2H2O4/c27-18-20-15-26(23-9-5-4-8-22(20)23)17-21(28)16-25-12-10-24(11-13-25)14-19-6-2-1-3-7-19;3-1(4)2(5)6/h1-9,15,18,21,28H,10-14,16-17H2;(H,3,4)(H,5,6)