N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine; ethanedioic acid

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine; ethanedioic acid Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine; oxalic acid CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine; oxalic acid IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine; oxalic acid Traditional Name: (5-bromo-2-methoxy-benzyl)-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)Br)CNCC2=CC(=C(C=C2)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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