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

Systemtic Name: N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]cyclopentanamine; ethanedioic acid Openeye Name: N-[(2-bromo-4,5-dimethoxy-phenyl)methyl]cyclopentanamine; oxalic acid CAS Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]cyclopentanamine; oxalic acid IUPAC Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]cyclopentanamine; oxalic acid Traditional Name: (2-bromo-4,5-dimethoxy-benzyl)-cyclopentyl-amine; oxalic acid Formula: C16H22BrNO6 MolecularWeight: 404.25298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNC2CCCC2)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CNC2CCCC2)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20BrNO2.C2H2O4/c1-17-13-7-10(12(15)8-14(13)18-2)9-16-11-5-3-4-6-11;3-1(4)2(5)6/h7-8,11,16H,3-6,9H2,1-2H3;(H,3,4)(H,5,6)