ethanedioic acid; 1-[4-[3-[(2-methylphenyl)-phenyl-methoxy]-2-oxidanyl-propyl]piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 1-[4-[3-[(2-methylphenyl)-phenyl-methoxy]-2-oxidanyl-propyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-hydroxy-3-[o-tolyl(phenyl)methoxy]propyl]piperazin-1-yl]ethanone; oxalic acid CAS Name: 1-[4-[2-hydroxy-3-[(2-methylphenyl)-phenylmethoxy]propyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 1-[4-[2-hydroxy-3-[(2-methylphenyl)-phenylmethoxy]propyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 1-[4-[2-hydroxy-3-[o-tolyl(phenyl)methoxy]propyl]piperazino]ethanone; oxalic acid Formula: C25H32N2O7 MolecularWeight: 472.53078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC(CN3CCN(CC3)C(=O)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC(CN3CCN(CC3)C(=O)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O3.C2H2O4/c1-18-8-6-7-11-22(18)23(20-9-4-3-5-10-20)28-17-21(27)16-24-12-14-25(15-13-24)19(2)26;3-1(4)2(5)6/h3-11,21,23,27H,12-17H2,1-2H3;(H,3,4)(H,5,6)