ethanedioic acid; 1-(4-methylphenoxy)-3-[[1-(phenylmethyl)piperidin-4-yl]amino]propan-2-ol

Systemtic Name: ethanedioic acid; 1-(4-methylphenoxy)-3-[[1-(phenylmethyl)piperidin-4-yl]amino]propan-2-ol Openeye Name: 1-[(1-benzyl-4-piperidyl)amino]-3-(4-methylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-(4-methylphenoxy)-3-[[1-(phenylmethyl)-4-piperidinyl]amino]-2-propanol; oxalic acid IUPAC Name: 1-[(1-benzylpiperidin-4-yl)amino]-3-(4-methylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[(1-benzyl-4-piperidyl)amino]-3-(4-methylphenoxy)propan-2-ol; oxalic acid Formula: C26H34N2O10 MolecularWeight: 534.55556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CNC2CCN(CC2)CC3=CC=CC=C3)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(CNC2CCN(CC2)CC3=CC=CC=C3)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H30N2O2.2C2H2O4/c1-18-7-9-22(10-8-18)26-17-21(25)15-23-20-11-13-24(14-12-20)16-19-5-3-2-4-6-19;2*3-1(4)2(5)6/h2-10,20-21,23,25H,11-17H2,1H3;2*(H,3,4)(H,5,6)