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

Systemtic Name: 4-(4-bromanyl-2,6-dimethyl-phenoxy)-N-methyl-N-(phenylmethyl)butan-1-amine; ethanedioic acid Openeye Name: N-benzyl-4-(4-bromo-2,6-dimethyl-phenoxy)-N-methyl-butan-1-amine; oxalic acid CAS Name: 4-(4-bromo-2,6-dimethylphenoxy)-N-methyl-N-(phenylmethyl)-1-butanamine; oxalic acid IUPAC Name: N-benzyl-4-(4-bromo-2,6-dimethylphenoxy)-N-methylbutan-1-amine; oxalic acid Traditional Name: benzyl-[4-(4-bromo-2,6-dimethyl-phenoxy)butyl]-methyl-amine; oxalic acid Formula: C22H28BrNO5 MolecularWeight: 466.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCCN(C)CC2=CC=CC=C2)C)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1OCCCCN(C)CC2=CC=CC=C2)C)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26BrNO.C2H2O4/c1-16-13-19(21)14-17(2)20(16)23-12-8-7-11-22(3)15-18-9-5-4-6-10-18;3-1(4)2(5)6/h4-6,9-10,13-14H,7-8,11-12,15H2,1-3H3;(H,3,4)(H,5,6)