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

Systemtic Name: ethanedioic acid; 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone; oxalic acid CAS Name: 1-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-2-(3-methylphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone; oxalic acid Traditional Name: 1-(4-m-anisylpiperazino)-2-(3-methylphenoxy)ethanone; oxalic acid Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3.C2H2O4/c1-17-5-3-8-20(13-17)26-16-21(24)23-11-9-22(10-12-23)15-18-6-4-7-19(14-18)25-2;3-1(4)2(5)6/h3-8,13-14H,9-12,15-16H2,1-2H3;(H,3,4)(H,5,6)