4-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)-N-(3-methoxypropyl)butan-1-amine; ethanedioic acid

Systemtic Name: 4-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)-N-(3-methoxypropyl)butan-1-amine; ethanedioic acid Openeye Name: 4-(2-bromo-6-chloro-4-methyl-phenoxy)-N-(3-methoxypropyl)butan-1-amine; oxalic acid CAS Name: 4-(2-bromo-6-chloro-4-methylphenoxy)-N-(3-methoxypropyl)-1-butanamine; oxalic acid IUPAC Name: 4-(2-bromo-6-chloro-4-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine; oxalic acid Traditional Name: 4-(2-bromo-6-chloro-4-methyl-phenoxy)butyl-(3-methoxypropyl)amine; oxalic acid Formula: C17H25BrClNO6 MolecularWeight: 454.7405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCCNCCCOC)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCCNCCCOC)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23BrClNO2.C2H2O4/c1-12-10-13(16)15(14(17)11-12)20-9-4-3-6-18-7-5-8-19-2;3-1(4)2(5)6/h10-11,18H,3-9H2,1-2H3;(H,3,4)(H,5,6)