2-[[2,3-bis(azanyl)-5-bromanyl-6-ethyl-phenyl]methyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2,3-bis(azanyl)-5-bromanyl-6-ethyl-phenyl]methyl-methyl-amino]ethanoic acid Openeye Name: 2-[(2,3-diamino-5-bromo-6-ethyl-phenyl)methyl-methyl-amino]acetic acid CAS Name: 2-[(2,3-diamino-5-bromo-6-ethylphenyl)methyl-methylamino]acetic acid IUPAC Name: 2-[(2,3-diamino-5-bromo-6-ethylphenyl)methyl-methylamino]acetic acid Traditional Name: 2-[(2,3-diamino-5-bromo-6-ethyl-benzyl)-methyl-amino]acetic acid Formula: C12H18BrN3O2 MolecularWeight: 316.19422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1CN(C)CC(=O)O)N)N)Br

Isomeric SMILES

CCC1=C(C=C(C(=C1CN(C)CC(=O)O)N)N)Br

InChI

InChI=1S/C12H18BrN3O2/c1-3-7-8(5-16(2)6-11(17)18)12(15)10(14)4-9(7)13/h4H,3,5-6,14-15H2,1-2H3,(H,17,18)