N-[2-(2-chloranyl-5-methyl-phenoxy)ethyl]butan-1-amine; ethanedioic acid

Systemtic Name: N-[2-(2-chloranyl-5-methyl-phenoxy)ethyl]butan-1-amine; ethanedioic acid Openeye Name: N-[2-(2-chloro-5-methyl-phenoxy)ethyl]butan-1-amine; oxalic acid CAS Name: N-[2-(2-chloro-5-methylphenoxy)ethyl]-1-butanamine; oxalic acid IUPAC Name: N-[2-(2-chloro-5-methylphenoxy)ethyl]butan-1-amine; oxalic acid Traditional Name: butyl-[2-(2-chloro-5-methyl-phenoxy)ethyl]amine; oxalic acid Formula: C15H22ClNO5 MolecularWeight: 331.79188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCOC1=C(C=CC(=C1)C)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCOC1=C(C=CC(=C1)C)Cl.C(=O)(C(=O)O)O

InChI

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