ethanedioic acid; [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(4-ethoxybenzyl)piperazino]-phenyl-methanone; oxalic acid Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O2.C2H2O4/c1-2-24-19-10-8-17(9-11-19)16-21-12-14-22(15-13-21)20(23)18-6-4-3-5-7-18;3-1(4)2(5)6/h3-11H,2,12-16H2,1H3;(H,3,4)(H,5,6)