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

Systemtic Name: N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-2-methyl-cyclohexan-1-amine; ethanedioic acid Openeye Name: N-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-2-methyl-cyclohexanamine; oxalic acid CAS Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methyl-1-cyclohexanamine; oxalic acid IUPAC Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine; oxalic acid Traditional Name: (2-bromo-4,5-dimethoxy-benzyl)-(2-methylcyclohexyl)amine; oxalic acid Formula: C18H26BrNO6 MolecularWeight: 432.30614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NCC2=CC(=C(C=C2Br)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCCC1NCC2=CC(=C(C=C2Br)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24BrNO2.C2H2O4/c1-11-6-4-5-7-14(11)18-10-12-8-15(19-2)16(20-3)9-13(12)17;3-1(4)2(5)6/h8-9,11,14,18H,4-7,10H2,1-3H3;(H,3,4)(H,5,6)