3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)-N-propan-2-yl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)-N-propan-2-yl-propan-1-amine; ethanedioic acid Openeye Name: 3-(2-bromo-6-chloro-4-methyl-phenoxy)-N-isopropyl-propan-1-amine; oxalic acid CAS Name: 3-(2-bromo-6-chloro-4-methylphenoxy)-N-propan-2-yl-1-propanamine; oxalic acid IUPAC Name: 3-(2-bromo-6-chloro-4-methylphenoxy)-N-propan-2-ylpropan-1-amine; oxalic acid Traditional Name: 3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl-isopropyl-amine; oxalic acid Formula: C15H21BrClNO5 MolecularWeight: 410.68794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCNC(C)C)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCNC(C)C)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19BrClNO.C2H2O4/c1-9(2)16-5-4-6-17-13-11(14)7-10(3)8-12(13)15;3-1(4)2(5)6/h7-9,16H,4-6H2,1-3H3;(H,3,4)(H,5,6)