1-(4-bromophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine; ethanedioic acid

Systemtic Name: 1-(4-bromophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine; ethanedioic acid Openeye Name: 1-(4-bromophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine; oxalic acid CAS Name: 1-(4-bromophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(4-bromophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine; oxalic acid Traditional Name: (4-bromobenzyl)-(3,4,5-trimethoxybenzyl)amine; oxalic acid Formula: C19H22BrNO7 MolecularWeight: 456.28448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNCC2=CC=C(C=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNCC2=CC=C(C=C2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20BrNO3.C2H2O4/c1-20-15-8-13(9-16(21-2)17(15)22-3)11-19-10-12-4-6-14(18)7-5-12;3-1(4)2(5)6/h4-9,19H,10-11H2,1-3H3;(H,3,4)(H,5,6)