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

Systemtic Name: ethanedioic acid; 3-iodanyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide Openeye Name: 3-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide; oxalic acid CAS Name: 3-iodo-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]benzamide; oxalic acid IUPAC Name: 3-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide; oxalic acid Traditional Name: 3-iodo-N-[4-[4-(2-methoxyphenyl)piperazino]butyl]benzamide; oxalic acid Formula: C24H30IN3O6 MolecularWeight: 583.41597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28IN3O2.C2H2O4/c1-28-21-10-3-2-9-20(21)26-15-13-25(14-16-26)12-5-4-11-24-22(27)18-7-6-8-19(23)17-18;3-1(4)2(5)6/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,24,27);(H,3,4)(H,5,6)