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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]pentan-3-amine; ethanedioic acid Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]pentan-3-amine; oxalic acid CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-pentanamine; oxalic acid IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]pentan-3-amine; oxalic acid Traditional Name: (5-bromo-2-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=C(C=CC(=C1)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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