ethanedioic acid; [1-(2-methylpiperazin-1-yl)-3-octadecoxy-propan-2-yl] ethanoate

Systemtic Name: ethanedioic acid; [1-(2-methylpiperazin-1-yl)-3-octadecoxy-propan-2-yl] ethanoate Openeye Name: [1-[(2-methylpiperazin-1-yl)methyl]-2-octadecoxy-ethyl] acetate; oxalic acid CAS Name: acetic acid [1-(2-methyl-1-piperazinyl)-3-octadecoxypropan-2-yl] ester; oxalic acid IUPAC Name: [1-(2-methylpiperazin-1-yl)-3-octadecoxypropan-2-yl] acetate; oxalic acid Traditional Name: acetic acid [1-[(2-methylpiperazino)methyl]-2-stearyloxy-ethyl] ester; oxalic acid Formula: C30H58N2O7 MolecularWeight: 558.79072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CN1CCNCC1C)OC(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CN1CCNCC1C)OC(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H56N2O3.C2H2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-32-25-28(33-27(3)31)24-30-21-20-29-23-26(30)2;3-1(4)2(5)6/h26,28-29H,4-25H2,1-3H3;(H,3,4)(H,5,6)