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

Systemtic Name: ethanedioic acid; [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-[(4-ethylphenyl)methyl]-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(4-ethylbenzyl)piperazino]-phenyl-methanone; oxalic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O.C2H2O4/c1-2-17-8-10-18(11-9-17)16-21-12-14-22(15-13-21)20(23)19-6-4-3-5-7-19;3-1(4)2(5)6/h3-11H,2,12-16H2,1H3;(H,3,4)(H,5,6)