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

Systemtic Name: ethanedioic acid; 1-(4-ethoxyphenoxy)-3-[[1-(phenylmethyl)piperidin-4-yl]amino]propan-2-ol Openeye Name: 1-[(1-benzyl-4-piperidyl)amino]-3-(4-ethoxyphenoxy)propan-2-ol; oxalic acid CAS Name: 1-(4-ethoxyphenoxy)-3-[[1-(phenylmethyl)-4-piperidinyl]amino]-2-propanol; oxalic acid IUPAC Name: 1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[(1-benzyl-4-piperidyl)amino]-3-(4-ethoxyphenoxy)propan-2-ol; oxalic acid Formula: C25H34N2O7 MolecularWeight: 474.54666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(CNC2CCN(CC2)CC3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(CNC2CCN(CC2)CC3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H32N2O3.C2H2O4/c1-2-27-22-8-10-23(11-9-22)28-18-21(26)16-24-20-12-14-25(15-13-20)17-19-6-4-3-5-7-19;3-1(4)2(5)6/h3-11,20-21,24,26H,2,12-18H2,1H3;(H,3,4)(H,5,6)