ethanedioic acid; 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(2-methylphenyl)-phenyl-methoxy]propan-2-ol

Systemtic Name: ethanedioic acid; 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(2-methylphenyl)-phenyl-methoxy]propan-2-ol Openeye Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[o-tolyl(phenyl)methoxy]propan-2-ol; oxalic acid CAS Name: 1-[4-(2-hydroxyethyl)-1-piperazinyl]-3-[(2-methylphenyl)-phenylmethoxy]-2-propanol; oxalic acid IUPAC Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol; oxalic acid Traditional Name: 1-[4-(2-hydroxyethyl)piperazino]-3-[o-tolyl(phenyl)methoxy]propan-2-ol; oxalic acid Formula: C25H34N2O7 MolecularWeight: 474.54666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC(CN3CCN(CC3)CCO)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC(CN3CCN(CC3)CCO)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H32N2O3.C2H2O4/c1-19-7-5-6-10-22(19)23(20-8-3-2-4-9-20)28-18-21(27)17-25-13-11-24(12-14-25)15-16-26;3-1(4)2(5)6/h2-10,21,23,26-27H,11-18H2,1H3;(H,3,4)(H,5,6)