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

Systemtic Name: ethanedioic acid; 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(2-methylphenyl)-phenyl-methoxy]propan-2-ol Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[o-tolyl(phenyl)methoxy]propan-2-ol; oxalic acid CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-[(2-methylphenyl)-phenylmethoxy]-2-propanol; oxalic acid IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(2-methylphenyl)-phenylmethoxy]propan-2-ol; oxalic acid Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-3-[o-tolyl(phenyl)methoxy]propan-2-ol; oxalic acid Formula: C30H36N2O7 MolecularWeight: 536.61604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC(CN3CCN(CC3)C4=CC=CC=C4OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC(CN3CCN(CC3)C4=CC=CC=C4OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H34N2O3.C2H2O4/c1-22-10-6-7-13-25(22)28(23-11-4-3-5-12-23)33-21-24(31)20-29-16-18-30(19-17-29)26-14-8-9-15-27(26)32-2;3-1(4)2(5)6/h3-15,24,28,31H,16-21H2,1-2H3;(H,3,4)(H,5,6)