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

Systemtic Name: N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-fluoranyl-2-methyl-aniline; ethanedioic acid Openeye Name: N-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-fluoro-2-methyl-aniline; oxalic acid CAS Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-fluoro-2-methylaniline; oxalic acid IUPAC Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-fluoro-2-methylaniline; oxalic acid Traditional Name: (2-bromo-4,5-dimethoxy-benzyl)-(4-fluoro-2-methyl-phenyl)amine; oxalic acid Formula: C18H19BrFNO6 MolecularWeight: 444.248963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NCC2=CC(=C(C=C2Br)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)NCC2=CC(=C(C=C2Br)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17BrFNO2.C2H2O4/c1-10-6-12(18)4-5-14(10)19-9-11-7-15(20-2)16(21-3)8-13(11)17;3-1(4)2(5)6/h4-8,19H,9H2,1-3H3;(H,3,4)(H,5,6)