1-(3-bromanyl-4-methoxy-phenyl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine; ethanedioic acid

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine; ethanedioic acid Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine; oxalic acid CAS Name: 1-(3-bromo-4-methoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine; oxalic acid Traditional Name: (3-bromo-4-methoxy-benzyl)-o-veratryl-amine; oxalic acid Formula: C19H22BrNO7 MolecularWeight: 456.28448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2=C(C(=CC=C2)OC)OC)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2=C(C(=CC=C2)OC)OC)Br.C(=O)(C(=O)O)O

InChI

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