N-[2-(4-bromanyl-2-methyl-phenoxy)ethyl]-3-methoxy-propan-1-amine; ethanedioic acid

Systemtic Name: N-[2-(4-bromanyl-2-methyl-phenoxy)ethyl]-3-methoxy-propan-1-amine; ethanedioic acid Openeye Name: N-[2-(4-bromo-2-methyl-phenoxy)ethyl]-3-methoxy-propan-1-amine; oxalic acid CAS Name: N-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methoxy-1-propanamine; oxalic acid IUPAC Name: N-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methoxypropan-1-amine; oxalic acid Traditional Name: 2-(4-bromo-2-methyl-phenoxy)ethyl-(3-methoxypropyl)amine; oxalic acid Formula: C15H22BrNO6 MolecularWeight: 392.24228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCNCCCOC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCNCCCOC.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20BrNO2.C2H2O4/c1-11-10-12(14)4-5-13(11)17-9-7-15-6-3-8-16-2;3-1(4)2(5)6/h4-5,10,15H,3,6-9H2,1-2H3;(H,3,4)(H,5,6)