N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]pentan-3-amine; ethanedioic acid

Systemtic Name: N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]pentan-3-amine; ethanedioic acid Openeye Name: N-[(2-bromo-4,5-dimethoxy-phenyl)methyl]pentan-3-amine; oxalic acid CAS Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-pentanamine; oxalic acid IUPAC Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentan-3-amine; oxalic acid Traditional Name: (2-bromo-4,5-dimethoxy-benzyl)-(1-ethylpropyl)amine; oxalic acid Formula: C16H24BrNO6 MolecularWeight: 406.26886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC1=CC(=C(C=C1Br)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)NCC1=CC(=C(C=C1Br)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22BrNO2.C2H2O4/c1-5-11(6-2)16-9-10-7-13(17-3)14(18-4)8-12(10)15;3-1(4)2(5)6/h7-8,11,16H,5-6,9H2,1-4H3;(H,3,4)(H,5,6)