N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(furan-2-yl)methanamine; ethanedioic acid

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(furan-2-yl)methanamine; ethanedioic acid Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-(2-furyl)methanamine; oxalic acid CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-furanyl)methanamine; oxalic acid IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine; oxalic acid Traditional Name: (5-bromo-2-methoxy-benzyl)-(2-furfuryl)amine; oxalic acid Formula: C15H16BrNO6 MolecularWeight: 386.19464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNCC2=CC=CO2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNCC2=CC=CO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H14BrNO2.C2H2O4/c1-16-13-5-4-11(14)7-10(13)8-15-9-12-3-2-6-17-12;3-1(4)2(5)6/h2-7,15H,8-9H2,1H3;(H,3,4)(H,5,6)