ethanedioic acid; N-(4-methoxyphenyl)-4-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: ethanedioic acid; N-(4-methoxyphenyl)-4-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]benzamide Openeye Name: N-(4-methoxyphenyl)-4-[[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]methyl]benzamide; oxalic acid CAS Name: N-(4-methoxyphenyl)-4-[[4-(2-oxolanylmethyl)-1-piperazinyl]methyl]benzamide; oxalic acid IUPAC Name: N-(4-methoxyphenyl)-4-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]benzamide; oxalic acid Traditional Name: N-(4-methoxyphenyl)-4-[[4-(tetrahydrofurfuryl)piperazino]methyl]benzamide; oxalic acid Formula: C28H35N3O11 MolecularWeight: 589.591

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)CC4CCCO4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)CC4CCCO4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31N3O3.2C2H2O4/c1-29-22-10-8-21(9-11-22)25-24(28)20-6-4-19(5-7-20)17-26-12-14-27(15-13-26)18-23-3-2-16-30-23;2*3-1(4)2(5)6/h4-11,23H,2-3,12-18H2,1H3,(H,25,28);2*(H,3,4)(H,5,6)