ethanedioic acid; 1-[4-[3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: ethanedioic acid; 1-[4-[3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[3-(3-acetylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]-2-methyl-propan-1-one; oxalic acid CAS Name: 1-[4-[3-(3-acetylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-2-methyl-1-propanone; oxalic acid IUPAC Name: 1-[4-[3-(3-acetylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one; oxalic acid Traditional Name: 1-[4-[3-(3-acetylphenoxy)-2-hydroxy-propyl]piperazino]-2-methyl-propan-1-one; oxalic acid Formula: C21H30N2O8 MolecularWeight: 438.4715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC(COC2=CC=CC(=C2)C(=O)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC(COC2=CC=CC(=C2)C(=O)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O4.C2H2O4/c1-14(2)19(24)21-9-7-20(8-10-21)12-17(23)13-25-18-6-4-5-16(11-18)15(3)22;3-1(4)2(5)6/h4-6,11,14,17,23H,7-10,12-13H2,1-3H3;(H,3,4)(H,5,6)