N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-2-(4-fluorophenyl)ethanamine; ethanedioic acid

Systemtic Name: N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-2-(4-fluorophenyl)ethanamine; ethanedioic acid Openeye Name: N-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-2-(4-fluorophenyl)ethanamine; oxalic acid CAS Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine; oxalic acid IUPAC Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine; oxalic acid Traditional Name: (2-bromo-4,5-dimethoxy-benzyl)-[2-(4-fluorophenyl)ethyl]amine; oxalic acid Formula: C19H21BrFNO6 MolecularWeight: 458.275543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrFNO2.C2H2O4/c1-21-16-9-13(15(18)10-17(16)22-2)11-20-8-7-12-3-5-14(19)6-4-12;3-1(4)2(5)6/h3-6,9-10,20H,7-8,11H2,1-2H3;(H,3,4)(H,5,6)