3-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-thiophen-2-yl-propan-1-amine; ethanedioic acid; N-methyl-3-phenoxy-3-pyridin-3-yl-propan-1-amine

Systemtic Name: 3-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-thiophen-2-yl-propan-1-amine; ethanedioic acid; N-methyl-3-phenoxy-3-pyridin-3-yl-propan-1-amine Openeye Name: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(2-thienyl)propan-1-amine; N-methyl-3-phenoxy-3-(3-pyridyl)propan-1-amine; oxalic acid CAS Name: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-3-thiophen-2-yl-1-propanamine; N-methyl-3-phenoxy-3-(3-pyridinyl)-1-propanamine; oxalic acid IUPAC Name: 3-[2-chloro-4-(trifluoromethyl)phenoxy]-3-thiophen-2-ylpropan-1-amine; N-methyl-3-phenoxy-3-pyridin-3-ylpropan-1-amine; oxalic acid Traditional Name: [3-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(2-thienyl)propyl]amine; methyl-[3-phenoxy-3-(3-pyridyl)propyl]amine; oxalic acid Formula: C31H33ClF3N3O6S MolecularWeight: 668.12343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O.C14H13ClF3NOS.C2H2O4/c1-16-11-9-15(13-6-5-10-17-12-13)18-14-7-3-2-4-8-14;15-10-8-9(14(16,17)18)3-4-11(10)20-12(5-6-19)13-2-1-7-21-13;3-1(4)2(5)6/h2-8,10,12,15-16H,9,11H2,1H3;1-4,7-8,12H,5-6,19H2;(H,3,4)(H,5,6)