3-[2-chloranyl-5-(trifluoromethyl)phenoxy]-3-pyridin-3-yl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-[2-chloranyl-5-(trifluoromethyl)phenoxy]-3-pyridin-3-yl-propan-1-amine; ethanedioic acid Openeye Name: 3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-(3-pyridyl)propan-1-amine; oxalic acid CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-(3-pyridinyl)-1-propanamine; oxalic acid IUPAC Name: 3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-pyridin-3-ylpropan-1-amine; oxalic acid Traditional Name: [3-[2-chloro-5-(trifluoromethyl)phenoxy]-3-(3-pyridyl)propyl]amine; oxalic acid Formula: C17H16ClF3N2O5 MolecularWeight: 420.76755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CCN)OC2=C(C=CC(=C2)C(F)(F)F)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CN=C1)C(CCN)OC2=C(C=CC(=C2)C(F)(F)F)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H14ClF3N2O.C2H2O4/c16-12-4-3-11(15(17,18)19)8-14(12)22-13(5-6-20)10-2-1-7-21-9-10;3-1(4)2(5)6/h1-4,7-9,13H,5-6,20H2;(H,3,4)(H,5,6)