2-(2-chloranylphenoxy)-N-(2-pyridin-4-ylethyl)propan-1-amine; ethanedioic acid; dihydrate

Systemtic Name: 2-(2-chloranylphenoxy)-N-(2-pyridin-4-ylethyl)propan-1-amine; ethanedioic acid; dihydrate Openeye Name: 2-(2-chlorophenoxy)-N-[2-(4-pyridyl)ethyl]propan-1-amine; oxalic acid; dihydrate CAS Name: 2-(2-chlorophenoxy)-N-(2-pyridin-4-ylethyl)-1-propanamine; oxalic acid; dihydrate IUPAC Name: 2-(2-chlorophenoxy)-N-(2-pyridin-4-ylethyl)propan-1-amine; oxalic acid; dihydrate Traditional Name: 2-(2-chlorophenoxy)propyl-[2-(4-pyridyl)ethyl]amine; oxalic acid; dihydrate Formula: C20H27ClN2O11 MolecularWeight: 506.88818

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCC1=CC=NC=C1)OC2=CC=CC=C2Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O.O

Isomeric SMILES

CC(CNCCC1=CC=NC=C1)OC2=CC=CC=C2Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O.O

InChI

InChI=1S/C16H19ClN2O.2C2H2O4.2H2O/c1-13(20-16-5-3-2-4-15(16)17)12-19-11-8-14-6-9-18-10-7-14;2*3-1(4)2(5)6;;/h2-7,9-10,13,19H,8,11-12H2,1H3;2*(H,3,4)(H,5,6);2*1H2