N-butyl-4-(4-chloranyl-2-methyl-phenoxy)butan-1-amine; ethanedioic acid

Systemtic Name: N-butyl-4-(4-chloranyl-2-methyl-phenoxy)butan-1-amine; ethanedioic acid Openeye Name: N-butyl-4-(4-chloro-2-methyl-phenoxy)butan-1-amine; oxalic acid CAS Name: N-butyl-4-(4-chloro-2-methylphenoxy)-1-butanamine; oxalic acid IUPAC Name: N-butyl-4-(4-chloro-2-methylphenoxy)butan-1-amine; oxalic acid Traditional Name: butyl-[4-(4-chloro-2-methyl-phenoxy)butyl]amine; oxalic acid Formula: C17H26ClNO5 MolecularWeight: 359.84504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCCOC1=C(C=C(C=C1)Cl)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCCCOC1=C(C=C(C=C1)Cl)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H24ClNO.C2H2O4/c1-3-4-9-17-10-5-6-11-18-15-8-7-14(16)12-13(15)2;3-1(4)2(5)6/h7-8,12,17H,3-6,9-11H2,1-2H3;(H,3,4)(H,5,6)