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

Systemtic Name: 4-(2-bromanyl-4-methyl-phenoxy)-N-methyl-N-(phenylmethyl)butan-1-amine; ethanedioic acid Openeye Name: N-benzyl-4-(2-bromo-4-methyl-phenoxy)-N-methyl-butan-1-amine; oxalic acid CAS Name: 4-(2-bromo-4-methylphenoxy)-N-methyl-N-(phenylmethyl)-1-butanamine; oxalic acid IUPAC Name: N-benzyl-4-(2-bromo-4-methylphenoxy)-N-methylbutan-1-amine; oxalic acid Traditional Name: benzyl-[4-(2-bromo-4-methyl-phenoxy)butyl]-methyl-amine; oxalic acid Formula: C21H26BrNO5 MolecularWeight: 452.33884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCN(C)CC2=CC=CC=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCN(C)CC2=CC=CC=C2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24BrNO.C2H2O4/c1-16-10-11-19(18(20)14-16)22-13-7-6-12-21(2)15-17-8-4-3-5-9-17;3-1(4)2(5)6/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3;(H,3,4)(H,5,6)