N-[3-(2-chloranyl-5-methyl-phenoxy)propyl]butan-1-amine; ethanedioic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCOC1=C(C=CC(=C1)C)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCCOC1=C(C=CC(=C1)C)Cl.C(=O)(C(=O)O)O

InChI

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