N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-2-(4-methoxyphenyl)ethanamine; ethanedioic acid

Systemtic Name: N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-2-(4-methoxyphenyl)ethanamine; ethanedioic acid Openeye Name: N-[(3-bromo-4-fluoro-phenyl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid CAS Name: N-[(3-bromo-4-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid IUPAC Name: N-[(3-bromo-4-fluorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid Traditional Name: (3-bromo-4-fluoro-benzyl)-[2-(4-methoxyphenyl)ethyl]amine; oxalic acid Formula: C18H19BrFNO5 MolecularWeight: 428.249563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNCC2=CC(=C(C=C2)F)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCNCC2=CC(=C(C=C2)F)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17BrFNO.C2H2O4/c1-20-14-5-2-12(3-6-14)8-9-19-11-13-4-7-16(18)15(17)10-13;3-1(4)2(5)6/h2-7,10,19H,8-9,11H2,1H3;(H,3,4)(H,5,6)