N-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethyl]butan-1-amine; ethanedioic acid

Systemtic Name: N-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethyl]butan-1-amine; ethanedioic acid Openeye Name: N-[2-(4-chloro-3,5-dimethyl-phenoxy)ethyl]butan-1-amine; oxalic acid CAS Name: N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-1-butanamine; oxalic acid IUPAC Name: N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butan-1-amine; oxalic acid Traditional Name: butyl-[2-(4-chloro-3,5-dimethyl-phenoxy)ethyl]amine; oxalic acid Formula: C16H24ClNO5 MolecularWeight: 345.81846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22ClNO.C2H2O4/c1-4-5-6-16-7-8-17-13-9-11(2)14(15)12(3)10-13;3-1(4)2(5)6/h9-10,16H,4-8H2,1-3H3;(H,3,4)(H,5,6)