4-bromanyl-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethyl-pentan-1-amine; ethanedioic acid

Systemtic Name: 4-bromanyl-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethyl-pentan-1-amine; ethanedioic acid Openeye Name: 4-bromo-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethyl-pentan-1-amine; oxalic acid CAS Name: 4-bromo-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethyl-1-pentanamine; oxalic acid IUPAC Name: 4-bromo-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethylpentan-1-amine; oxalic acid Traditional Name: 4-bromopentyl-[2-(2,6-dimethylphenoxy)ethyl]-ethyl-amine; oxalic acid Formula: C19H30BrNO5 MolecularWeight: 432.3492

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCC(C)Br)CCOC1=C(C=CC=C1C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CCCC(C)Br)CCOC1=C(C=CC=C1C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H28BrNO.C2H2O4/c1-5-19(11-7-10-16(4)18)12-13-20-17-14(2)8-6-9-15(17)3;3-1(4)2(5)6/h6,8-9,16H,5,7,10-13H2,1-4H3;(H,3,4)(H,5,6)