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

Systemtic Name: N-[3-(4-chloranyl-2,3-dimethyl-phenoxy)propyl]butan-2-amine; ethanedioic acid Openeye Name: N-[3-(4-chloro-2,3-dimethyl-phenoxy)propyl]butan-2-amine; oxalic acid CAS Name: N-[3-(4-chloro-2,3-dimethylphenoxy)propyl]-2-butanamine; oxalic acid IUPAC Name: N-[3-(4-chloro-2,3-dimethylphenoxy)propyl]butan-2-amine; oxalic acid Traditional Name: 3-(4-chloro-2,3-dimethyl-phenoxy)propyl-sec-butyl-amine; oxalic acid Formula: C17H26ClNO5 MolecularWeight: 359.84504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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