N-[2-(2-chloranyl-4-methyl-phenoxy)ethyl]butan-2-amine; ethanedioic acid

Systemtic Name: N-[2-(2-chloranyl-4-methyl-phenoxy)ethyl]butan-2-amine; ethanedioic acid Openeye Name: N-[2-(2-chloro-4-methyl-phenoxy)ethyl]butan-2-amine; oxalic acid CAS Name: N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-butanamine; oxalic acid IUPAC Name: N-[2-(2-chloro-4-methylphenoxy)ethyl]butan-2-amine; oxalic acid Traditional Name: 2-(2-chloro-4-methyl-phenoxy)ethyl-sec-butyl-amine; oxalic acid Formula: C15H22ClNO5 MolecularWeight: 331.79188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCOC1=C(C=C(C=C1)C)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)NCCOC1=C(C=C(C=C1)C)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20ClNO.C2H2O4/c1-4-11(3)15-7-8-16-13-6-5-10(2)9-12(13)14;3-1(4)2(5)6/h5-6,9,11,15H,4,7-8H2,1-3H3;(H,3,4)(H,5,6)