2-bromanyl-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; ethanedioic acid

Systemtic Name: 2-bromanyl-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; ethanedioic acid Openeye Name: 2-bromo-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; oxalic acid CAS Name: 2-bromo-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; oxalic acid IUPAC Name: 2-bromo-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline; oxalic acid Traditional Name: (2-bromo-4-methyl-phenyl)-(3,4,5-trimethoxybenzyl)amine; oxalic acid Formula: C19H22BrNO7 MolecularWeight: 456.28448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrNO3.C2H2O4/c1-11-5-6-14(13(18)7-11)19-10-12-8-15(20-2)17(22-4)16(9-12)21-3;3-1(4)2(5)6/h5-9,19H,10H2,1-4H3;(H,3,4)(H,5,6)