4-bromanyl-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-aniline; ethanedioic acid

Systemtic Name: 4-bromanyl-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-aniline; ethanedioic acid Openeye Name: 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-aniline; oxalic acid CAS Name: 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-methylaniline; oxalic acid IUPAC Name: 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-methylaniline; oxalic acid Traditional Name: (4-bromo-2-methyl-phenyl)-veratryl-amine; oxalic acid Formula: C18H20BrNO6 MolecularWeight: 426.2585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NCC2=CC(=C(C=C2)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NCC2=CC(=C(C=C2)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18BrNO2.C2H2O4/c1-11-8-13(17)5-6-14(11)18-10-12-4-7-15(19-2)16(9-12)20-3;3-1(4)2(5)6/h4-9,18H,10H2,1-3H3;(H,3,4)(H,5,6)