ethanedioic acid; 1-(4-pentan-3-ylpiperazin-1-yl)-2-phenyl-ethanone

Systemtic Name: ethanedioic acid; 1-(4-pentan-3-ylpiperazin-1-yl)-2-phenyl-ethanone Openeye Name: 1-[4-(1-ethylpropyl)piperazin-1-yl]-2-phenyl-ethanone; oxalic acid CAS Name: oxalic acid; 1-(4-pentan-3-yl-1-piperazinyl)-2-phenylethanone IUPAC Name: oxalic acid; 1-(4-pentan-3-ylpiperazin-1-yl)-2-phenylethanone Traditional Name: 1-[4-(1-ethylpropyl)piperazino]-2-phenyl-ethanone; oxalic acid Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)C(=O)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)N1CCN(CC1)C(=O)CC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2O.C2H2O4/c1-3-16(4-2)18-10-12-19(13-11-18)17(20)14-15-8-6-5-7-9-15;3-1(4)2(5)6/h5-9,16H,3-4,10-14H2,1-2H3;(H,3,4)(H,5,6)