4-bromanyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; ethanedioic acid

Systemtic Name: 4-bromanyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; ethanedioic acid Openeye Name: 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; oxalic acid CAS Name: 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; oxalic acid IUPAC Name: 4-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; oxalic acid Traditional Name: (4-bromophenyl)-(3,4,5-trimethoxybenzyl)amine; oxalic acid Formula: C18H20BrNO7 MolecularWeight: 442.2579

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18BrNO3.C2H2O4/c1-19-14-8-11(9-15(20-2)16(14)21-3)10-18-13-6-4-12(17)5-7-13;3-1(4)2(5)6/h4-9,18H,10H2,1-3H3;(H,3,4)(H,5,6)