ethanedioic acid; 2-(3-methylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-(3-methylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(3-methylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(3-methylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(3-methylphenoxy)-1-[4-(3-phenoxybenzyl)piperazino]ethanone; oxalic acid Formula: C28H30N2O7 MolecularWeight: 506.547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N2O3.C2H2O4/c1-21-7-5-11-24(17-21)30-20-26(29)28-15-13-27(14-16-28)19-22-8-6-12-25(18-22)31-23-9-3-2-4-10-23;3-1(4)2(5)6/h2-12,17-18H,13-16,19-20H2,1H3;(H,3,4)(H,5,6)