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

Systemtic Name: [5-bromanyl-3-ethyl-2-(2-hydroxyethyloxy)phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride Openeye Name: [5-bromo-3-ethyl-2-(2-hydroxyethoxy)phenyl] 2-(4-carbamimidoylanilino)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)acetic acid [5-bromo-3-ethyl-2-(2-hydroxyethoxy)phenyl] ester hydrochloride IUPAC Name: [5-bromo-3-ethyl-2-(2-hydroxyethoxy)phenyl] 2-(4-carbamimidoylanilino)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)acetic acid [5-bromo-3-ethyl-2-(2-hydroxyethoxy)phenyl] ester hydrochloride Formula: C19H23BrClN3O4 MolecularWeight: 472.76062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1OCCO)OC(=O)CNC2=CC=C(C=C2)C(=N)N)Br.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1OCCO)OC(=O)CNC2=CC=C(C=C2)C(=N)N)Br.Cl

InChI

InChI=1S/C19H22BrN3O4.ClH/c1-2-12-9-14(20)10-16(18(12)26-8-7-24)27-17(25)11-23-15-5-3-13(4-6-15)19(21)22;/h3-6,9-10,23-24H,2,7-8,11H2,1H3,(H3,21,22);1H