ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-[(2-methylphenyl)-phenyl-methoxy]propan-2-ol

Systemtic Name: ethanedioic acid; 1-(4-ethylpiperazin-1-yl)-3-[(2-methylphenyl)-phenyl-methoxy]propan-2-ol Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[o-tolyl(phenyl)methoxy]propan-2-ol; oxalic acid CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[(2-methylphenyl)-phenylmethoxy]-2-propanol; oxalic acid IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol; oxalic acid Traditional Name: 1-(4-ethylpiperazino)-3-[o-tolyl(phenyl)methoxy]propan-2-ol; oxalic acid Formula: C27H36N2O10 MolecularWeight: 548.58214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(COC(C2=CC=CC=C2)C3=CC=CC=C3C)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CC(COC(C2=CC=CC=C2)C3=CC=CC=C3C)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H32N2O2.2C2H2O4/c1-3-24-13-15-25(16-14-24)17-21(26)18-27-23(20-10-5-4-6-11-20)22-12-8-7-9-19(22)2;2*3-1(4)2(5)6/h4-12,21,23,26H,3,13-18H2,1-2H3;2*(H,3,4)(H,5,6)