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

Systemtic Name: 3-(4-bromanyl-2-chloranyl-phenoxy)-N-(phenylmethyl)propan-1-amine; ethanedioic acid Openeye Name: N-benzyl-3-(4-bromo-2-chloro-phenoxy)propan-1-amine; oxalic acid CAS Name: 3-(4-bromo-2-chlorophenoxy)-N-(phenylmethyl)-1-propanamine; oxalic acid IUPAC Name: N-benzyl-3-(4-bromo-2-chlorophenoxy)propan-1-amine; oxalic acid Traditional Name: benzyl-[3-(4-bromo-2-chloro-phenoxy)propyl]amine; oxalic acid Formula: C18H19BrClNO5 MolecularWeight: 444.70416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCOC2=C(C=C(C=C2)Br)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCCCOC2=C(C=C(C=C2)Br)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17BrClNO.C2H2O4/c17-14-7-8-16(15(18)11-14)20-10-4-9-19-12-13-5-2-1-3-6-13;3-1(4)2(5)6/h1-3,5-8,11,19H,4,9-10,12H2;(H,3,4)(H,5,6)