N-[3-(2-chloranyl-4-methyl-phenoxy)propyl]butan-2-amine; ethanedioic acid

Systemtic Name: N-[3-(2-chloranyl-4-methyl-phenoxy)propyl]butan-2-amine; ethanedioic acid Openeye Name: N-[3-(2-chloro-4-methyl-phenoxy)propyl]butan-2-amine; oxalic acid CAS Name: N-[3-(2-chloro-4-methylphenoxy)propyl]-2-butanamine; oxalic acid IUPAC Name: N-[3-(2-chloro-4-methylphenoxy)propyl]butan-2-amine; oxalic acid Traditional Name: 3-(2-chloro-4-methyl-phenoxy)propyl-sec-butyl-amine; oxalic acid Formula: C16H24ClNO5 MolecularWeight: 345.81846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCCOC1=C(C=C(C=C1)C)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)NCCCOC1=C(C=C(C=C1)C)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22ClNO.C2H2O4/c1-4-12(3)16-8-5-9-17-14-7-6-11(2)10-13(14)15;3-1(4)2(5)6/h6-7,10,12,16H,4-5,8-9H2,1-3H3;(H,3,4)(H,5,6)