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

Systemtic Name: 3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)-N-(phenylmethyl)propan-1-amine; ethanedioic acid Openeye Name: N-benzyl-3-(2-bromo-6-chloro-4-methyl-phenoxy)propan-1-amine; oxalic acid CAS Name: 3-(2-bromo-6-chloro-4-methylphenoxy)-N-(phenylmethyl)-1-propanamine; oxalic acid IUPAC Name: N-benzyl-3-(2-bromo-6-chloro-4-methylphenoxy)propan-1-amine; oxalic acid Traditional Name: benzyl-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl]amine; oxalic acid Formula: C19H21BrClNO5 MolecularWeight: 458.73074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCNCC2=CC=CC=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCNCC2=CC=CC=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19BrClNO.C2H2O4/c1-13-10-15(18)17(16(19)11-13)21-9-5-8-20-12-14-6-3-2-4-7-14;3-1(4)2(5)6/h2-4,6-7,10-11,20H,5,8-9,12H2,1H3;(H,3,4)(H,5,6)