2-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethoxy]-N-(phenylmethyl)ethanamine; ethanedioic acid

Systemtic Name: 2-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethoxy]-N-(phenylmethyl)ethanamine; ethanedioic acid Openeye Name: N-benzyl-2-[2-(2-bromo-4,6-dimethyl-phenoxy)ethoxy]ethanamine; oxalic acid CAS Name: 2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N-(phenylmethyl)ethanamine; oxalic acid IUPAC Name: N-benzyl-2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethanamine; oxalic acid Traditional Name: benzyl-[2-[2-(2-bromo-4,6-dimethyl-phenoxy)ethoxy]ethyl]amine; oxalic acid Formula: C21H26BrNO6 MolecularWeight: 468.33824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCOCCNCC2=CC=CC=C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCOCCNCC2=CC=CC=C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24BrNO2.C2H2O4/c1-15-12-16(2)19(18(20)13-15)23-11-10-22-9-8-21-14-17-6-4-3-5-7-17;3-1(4)2(5)6/h3-7,12-13,21H,8-11,14H2,1-2H3;(H,3,4)(H,5,6)