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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]adamantan-1-amine; ethanedioic acid Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]adamantan-1-amine; oxalic acid CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-adamantanamine; oxalic acid IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]adamantan-1-amine; oxalic acid Traditional Name: 1-adamantyl-(5-bromo-2-methoxy-benzyl)amine; oxalic acid Formula: C20H26BrNO5 MolecularWeight: 440.32814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrNO.C2H2O4/c1-21-17-3-2-16(19)7-15(17)11-20-18-8-12-4-13(9-18)6-14(5-12)10-18;3-1(4)2(5)6/h2-3,7,12-14,20H,4-6,8-11H2,1H3;(H,3,4)(H,5,6)