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

Systemtic Name: 3-(2-bromanyl-4,6-dimethyl-phenoxy)-N-(phenylmethyl)propan-1-amine; ethanedioic acid Openeye Name: N-benzyl-3-(2-bromo-4,6-dimethyl-phenoxy)propan-1-amine; oxalic acid CAS Name: 3-(2-bromo-4,6-dimethylphenoxy)-N-(phenylmethyl)-1-propanamine; oxalic acid IUPAC Name: N-benzyl-3-(2-bromo-4,6-dimethylphenoxy)propan-1-amine; oxalic acid Traditional Name: benzyl-[3-(2-bromo-4,6-dimethyl-phenoxy)propyl]amine; oxalic acid Formula: C20H24BrNO5 MolecularWeight: 438.31226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO.C2H2O4/c1-14-11-15(2)18(17(19)12-14)21-10-6-9-20-13-16-7-4-3-5-8-16;3-1(4)2(5)6/h3-5,7-8,11-12,20H,6,9-10,13H2,1-2H3;(H,3,4)(H,5,6)