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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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