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

Systemtic Name: ethanedioic acid; N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-4-propoxy-aniline Openeye Name: N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]-4-propoxy-aniline; oxalic acid CAS Name: oxalic acid; N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]-4-propoxyaniline IUPAC Name: oxalic acid; N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-4-propoxyaniline Traditional Name: [1-methyl-2-(4-phenethylpiperazino)ethyl]-(4-propoxyphenyl)amine; oxalic acid Formula: C28H39N3O9 MolecularWeight: 561.62396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C24H35N3O.2C2H2O4/c1-3-19-28-24-11-9-23(10-12-24)25-21(2)20-27-17-15-26(16-18-27)14-13-22-7-5-4-6-8-22;2*3-1(4)2(5)6/h4-12,21,25H,3,13-20H2,1-2H3;2*(H,3,4)(H,5,6)