N-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propyl]cyclopentanamine; ethanedioic acid

Systemtic Name: N-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propyl]cyclopentanamine; ethanedioic acid Openeye Name: N-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl]cyclopentanamine; oxalic acid CAS Name: N-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]cyclopentanamine; oxalic acid IUPAC Name: N-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]cyclopentanamine; oxalic acid Traditional Name: 3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl-cyclopentyl-amine; oxalic acid Formula: C17H23BrClNO5 MolecularWeight: 436.72522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCNC2CCCC2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCNC2CCCC2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H21BrClNO.C2H2O4/c1-11-9-13(16)15(14(17)10-11)19-8-4-7-18-12-5-2-3-6-12;3-1(4)2(5)6/h9-10,12,18H,2-8H2,1H3;(H,3,4)(H,5,6)