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

Systemtic Name: ethanedioic acid; 1-(3-ethylphenoxy)-3-[[1-(phenylmethyl)piperidin-4-yl]amino]propan-2-ol Openeye Name: 1-[(1-benzyl-4-piperidyl)amino]-3-(3-ethylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-(3-ethylphenoxy)-3-[[1-(phenylmethyl)-4-piperidinyl]amino]-2-propanol; oxalic acid IUPAC Name: 1-[(1-benzylpiperidin-4-yl)amino]-3-(3-ethylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[(1-benzyl-4-piperidyl)amino]-3-(3-ethylphenoxy)propan-2-ol; oxalic acid Formula: C25H34N2O6 MolecularWeight: 458.54726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CNC2CCN(CC2)CC3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(CNC2CCN(CC2)CC3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H32N2O2.C2H2O4/c1-2-19-9-6-10-23(15-19)27-18-22(26)16-24-21-11-13-25(14-12-21)17-20-7-4-3-5-8-20;3-1(4)2(5)6/h3-10,15,21-22,24,26H,2,11-14,16-18H2,1H3;(H,3,4)(H,5,6)