2-(4-bromanyl-2-methyl-phenoxy)-N-(phenylmethyl)ethanamine; ethanedioic acid

Systemtic Name: 2-(4-bromanyl-2-methyl-phenoxy)-N-(phenylmethyl)ethanamine; ethanedioic acid Openeye Name: N-benzyl-2-(4-bromo-2-methyl-phenoxy)ethanamine; oxalic acid CAS Name: 2-(4-bromo-2-methylphenoxy)-N-(phenylmethyl)ethanamine; oxalic acid IUPAC Name: N-benzyl-2-(4-bromo-2-methylphenoxy)ethanamine; oxalic acid Traditional Name: benzyl-[2-(4-bromo-2-methyl-phenoxy)ethyl]amine; oxalic acid Formula: C18H20BrNO5 MolecularWeight: 410.2591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCNCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCNCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18BrNO.C2H2O4/c1-13-11-15(17)7-8-16(13)19-10-9-18-12-14-5-3-2-4-6-14;3-1(4)2(5)6/h2-8,11,18H,9-10,12H2,1H3;(H,3,4)(H,5,6)