1-(4-bromophenyl)-N-[(2,4-dimethoxy-3-methyl-phenyl)methyl]methanamine; ethanedioic acid

Systemtic Name: 1-(4-bromophenyl)-N-[(2,4-dimethoxy-3-methyl-phenyl)methyl]methanamine; ethanedioic acid Openeye Name: 1-(4-bromophenyl)-N-[(2,4-dimethoxy-3-methyl-phenyl)methyl]methanamine; oxalic acid CAS Name: 1-(4-bromophenyl)-N-[(2,4-dimethoxy-3-methylphenyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(4-bromophenyl)-N-[(2,4-dimethoxy-3-methylphenyl)methyl]methanamine; oxalic acid Traditional Name: (4-bromobenzyl)-(2,4-dimethoxy-3-methyl-benzyl)amine; oxalic acid Formula: C19H22BrNO6 MolecularWeight: 440.28508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)CNCC2=CC=C(C=C2)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1OC)CNCC2=CC=C(C=C2)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20BrNO2.C2H2O4/c1-12-16(20-2)9-6-14(17(12)21-3)11-19-10-13-4-7-15(18)8-5-13;3-1(4)2(5)6/h4-9,19H,10-11H2,1-3H3;(H,3,4)(H,5,6)