4-(4-chloranyl-3-ethyl-phenoxy)-N-methyl-butan-1-amine; ethanedioic acid

Systemtic Name: 4-(4-chloranyl-3-ethyl-phenoxy)-N-methyl-butan-1-amine; ethanedioic acid Openeye Name: 4-(4-chloro-3-ethyl-phenoxy)-N-methyl-butan-1-amine; oxalic acid CAS Name: 4-(4-chloro-3-ethylphenoxy)-N-methyl-1-butanamine; oxalic acid IUPAC Name: 4-(4-chloro-3-ethylphenoxy)-N-methylbutan-1-amine; oxalic acid Traditional Name: 4-(4-chloro-3-ethyl-phenoxy)butyl-methyl-amine; oxalic acid Formula: C15H22ClNO5 MolecularWeight: 331.79188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCCCCNC)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)OCCCCNC)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20ClNO.C2H2O4/c1-3-11-10-12(6-7-13(11)14)16-9-5-4-8-15-2;3-1(4)2(5)6/h6-7,10,15H,3-5,8-9H2,1-2H3;(H,3,4)(H,5,6)