ethanedioic acid; 4-ethoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]aniline

Systemtic Name: ethanedioic acid; 4-ethoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]aniline Openeye Name: 4-ethoxy-N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]aniline; oxalic acid CAS Name: 4-ethoxy-N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]aniline; oxalic acid IUPAC Name: 4-ethoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]aniline; oxalic acid Traditional Name: [1-methyl-2-(4-phenethylpiperazino)ethyl]-p-phenetyl-amine; oxalic acid Formula: C27H37N3O9 MolecularWeight: 547.59738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(C)CN2CCN(CC2)CCC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(C)CN2CCN(CC2)CCC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H33N3O.2C2H2O4/c1-3-27-23-11-9-22(10-12-23)24-20(2)19-26-17-15-25(16-18-26)14-13-21-7-5-4-6-8-21;2*3-1(4)2(5)6/h4-12,20,24H,3,13-19H2,1-2H3;2*(H,3,4)(H,5,6)