2-(2-bromanyl-4,5-dimethoxy-phenyl)-2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride

Systemtic Name: 2-(2-bromanyl-4,5-dimethoxy-phenyl)-2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride Openeye Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-2-(4-carbamimidoylanilino)acetate hydrochloride CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)-2-(4-carbamimidoylanilino)acetate hydrochloride IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)-2-(4-carbamimidoylanilino)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(2-bromo-4,5-dimethoxy-phenyl)acetate hydrochloride Formula: C17H18BrClN3O4- MolecularWeight: 443.69952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)Br)OC.Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)Br)OC.Cl

InChI

InChI=1S/C17H18BrN3O4.ClH/c1-24-13-7-11(12(18)8-14(13)25-2)15(17(22)23)21-10-5-3-9(4-6-10)16(19)20;/h3-8,15,21H,1-2H3,(H3,19,20)(H,22,23);1H/p-1