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

Systemtic Name: ethanedioic acid; 2-iodanyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide Openeye Name: 2-iodo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide; oxalic acid CAS Name: 2-iodo-N-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]benzamide; oxalic acid IUPAC Name: 2-iodo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide; oxalic acid Traditional Name: 2-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=C3I.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)C3=CC=CC=C3I.C(=O)(C(=O)O)O

InChI

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