N-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethyl]cyclopentanamine; ethanedioic acid

Systemtic Name: N-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethyl]cyclopentanamine; ethanedioic acid Openeye Name: N-[2-(2-bromo-4,6-dimethyl-phenoxy)ethyl]cyclopentanamine; oxalic acid CAS Name: N-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]cyclopentanamine; oxalic acid IUPAC Name: N-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]cyclopentanamine; oxalic acid Traditional Name: 2-(2-bromo-4,6-dimethyl-phenoxy)ethyl-cyclopentyl-amine; oxalic acid Formula: C17H24BrNO5 MolecularWeight: 402.28016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCNC2CCCC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCNC2CCCC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22BrNO.C2H2O4/c1-11-9-12(2)15(14(16)10-11)18-8-7-17-13-5-3-4-6-13;3-1(4)2(5)6/h9-10,13,17H,3-8H2,1-2H3;(H,3,4)(H,5,6)