ethanedioic acid; 3-iodanyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide

Systemtic Name: ethanedioic acid; 3-iodanyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide Openeye Name: 3-iodo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide; oxalic acid CAS Name: 3-iodo-N-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]benzamide; oxalic acid IUPAC Name: 3-iodo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide; oxalic acid Traditional Name: 3-iodo-N-[3-[4-(2-methoxyphenyl)piperazino]propyl]benzamide; oxalic acid Formula: C23H28IN3O6 MolecularWeight: 569.38939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)C3=CC(=CC=C3)I.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)C3=CC(=CC=C3)I.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26IN3O2.C2H2O4/c1-27-20-9-3-2-8-19(20)25-14-12-24(13-15-25)11-5-10-23-21(26)17-6-4-7-18(22)16-17;3-1(4)2(5)6/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,26);(H,3,4)(H,5,6)