2-(2-chloranylphenoxy)-N-(2-pyridin-4-ylethyl)butan-1-amine; ethanedioic acid; hydrate

Systemtic Name: 2-(2-chloranylphenoxy)-N-(2-pyridin-4-ylethyl)butan-1-amine; ethanedioic acid; hydrate Openeye Name: 2-(2-chlorophenoxy)-N-[2-(4-pyridyl)ethyl]butan-1-amine; oxalic acid; hydrate CAS Name: 2-(2-chlorophenoxy)-N-(2-pyridin-4-ylethyl)-1-butanamine; oxalic acid; hydrate IUPAC Name: 2-(2-chlorophenoxy)-N-(2-pyridin-4-ylethyl)butan-1-amine; oxalic acid; hydrate Traditional Name: 2-(2-chlorophenoxy)butyl-[2-(4-pyridyl)ethyl]amine; oxalic acid; hydrate Formula: C21H27ClN2O10 MolecularWeight: 502.89948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O.2C2H2O4.H2O/c1-2-15(21-17-6-4-3-5-16(17)18)13-20-12-9-14-7-10-19-11-8-14;2*3-1(4)2(5)6;/h3-8,10-11,15,20H,2,9,12-13H2,1H3;2*(H,3,4)(H,5,6);1H2