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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCCC2=CC(=CC=C2)F)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNCCC2=CC(=CC=C2)F)Br.C(=O)(C(=O)O)O

InChI

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