ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-pentan-3-yl-piperazine

Systemtic Name: ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-pentan-3-yl-piperazine Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(1-ethylpropyl)piperazine; oxalic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-pentan-3-ylpiperazine; oxalic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-pentan-3-ylpiperazine; oxalic acid Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(1-ethylpropyl)piperazine; oxalic acid Formula: C21H34N2O6 MolecularWeight: 410.50446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O2.C2H2O4/c1-5-17(6-2)21-12-10-20(11-13-21)15-16-8-9-18(22-4)19(14-16)23-7-3;3-1(4)2(5)6/h8-9,14,17H,5-7,10-13,15H2,1-4H3;(H,3,4)(H,5,6)