N-[(3-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine; ethanedioic acid

Systemtic Name: N-[(3-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine; ethanedioic acid Openeye Name: N-[(3-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine; oxalic acid CAS Name: N-[(3-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine; oxalic acid IUPAC Name: N-[(3-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine; oxalic acid Traditional Name: (3-bromobenzyl)-homoveratryl-amine; oxalic acid Formula: C19H22BrNO6 MolecularWeight: 440.28508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC2=CC(=CC=C2)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC2=CC(=CC=C2)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20BrNO2.C2H2O4/c1-20-16-7-6-13(11-17(16)21-2)8-9-19-12-14-4-3-5-15(18)10-14;3-1(4)2(5)6/h3-7,10-11,19H,8-9,12H2,1-2H3;(H,3,4)(H,5,6)