N-[(3-bromanyl-4-methoxy-phenyl)methyl]pentan-3-amine; ethanedioic acid

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)methyl]pentan-3-amine; ethanedioic acid Openeye Name: N-[(3-bromo-4-methoxy-phenyl)methyl]pentan-3-amine; oxalic acid CAS Name: N-[(3-bromo-4-methoxyphenyl)methyl]-3-pentanamine; oxalic acid IUPAC Name: N-[(3-bromo-4-methoxyphenyl)methyl]pentan-3-amine; oxalic acid Traditional Name: (3-bromo-4-methoxy-benzyl)-(1-ethylpropyl)amine; oxalic acid Formula: C15H22BrNO5 MolecularWeight: 376.24288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC1=CC(=C(C=C1)OC)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)NCC1=CC(=C(C=C1)OC)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20BrNO.C2H2O4/c1-4-11(5-2)15-9-10-6-7-13(16-3)12(14)8-10;3-1(4)2(5)6/h6-8,11,15H,4-5,9H2,1-3H3;(H,3,4)(H,5,6)