[5-bromanyl-2-(2-hydroxyethyloxy)-3-methoxy-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride

Systemtic Name: [5-bromanyl-2-(2-hydroxyethyloxy)-3-methoxy-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride Openeye Name: [5-bromo-2-(2-hydroxyethoxy)-3-methoxy-phenyl] 2-(4-carbamimidoylanilino)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)acetic acid [5-bromo-2-(2-hydroxyethoxy)-3-methoxyphenyl] ester hydrochloride IUPAC Name: [5-bromo-2-(2-hydroxyethoxy)-3-methoxyphenyl] 2-(4-carbamimidoylanilino)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)acetic acid [5-bromo-2-(2-hydroxyethoxy)-3-methoxy-phenyl] ester hydrochloride Formula: C18H21BrClN3O5 MolecularWeight: 474.73344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)OC(=O)CNC2=CC=C(C=C2)C(=N)N)OCCO.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)OC(=O)CNC2=CC=C(C=C2)C(=N)N)OCCO.Cl

InChI

InChI=1S/C18H20BrN3O5.ClH/c1-25-14-8-12(19)9-15(17(14)26-7-6-23)27-16(24)10-22-13-4-2-11(3-5-13)18(20)21;/h2-5,8-9,22-23H,6-7,10H2,1H3,(H3,20,21);1H