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

Systemtic Name: N-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]cyclohexanamine; ethanedioic acid Openeye Name: N-[(5-bromo-2,4-dimethoxy-phenyl)methyl]cyclohexanamine; oxalic acid CAS Name: N-[(5-bromo-2,4-dimethoxyphenyl)methyl]cyclohexanamine; oxalic acid IUPAC Name: N-[(5-bromo-2,4-dimethoxyphenyl)methyl]cyclohexanamine; oxalic acid Traditional Name: (5-bromo-2,4-dimethoxy-benzyl)-cyclohexyl-amine; oxalic acid Formula: C17H24BrNO6 MolecularWeight: 418.27956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2CCCCC2)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1CNC2CCCCC2)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22BrNO2.C2H2O4/c1-18-14-9-15(19-2)13(16)8-11(14)10-17-12-6-4-3-5-7-12;3-1(4)2(5)6/h8-9,12,17H,3-7,10H2,1-2H3;(H,3,4)(H,5,6)