N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]adamantan-1-amine; ethanedioic acid

Systemtic Name: N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]adamantan-1-amine; ethanedioic acid Openeye Name: N-[(2-bromo-4,5-dimethoxy-phenyl)methyl]adamantan-1-amine; oxalic acid CAS Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-adamantanamine; oxalic acid IUPAC Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]adamantan-1-amine; oxalic acid Traditional Name: 1-adamantyl-(2-bromo-4,5-dimethoxy-benzyl)amine; oxalic acid Formula: C21H28BrNO6 MolecularWeight: 470.35412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H26BrNO2.C2H2O4/c1-22-17-6-15(16(20)7-18(17)23-2)11-21-19-8-12-3-13(9-19)5-14(4-12)10-19;3-1(4)2(5)6/h6-7,12-14,21H,3-5,8-11H2,1-2H3;(H,3,4)(H,5,6)