2-[3-bromanyl-5-chloranyl-2-(2-hydroxyethyloxy)phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoic acid

Systemtic Name: 2-[3-bromanyl-5-chloranyl-2-(2-hydroxyethyloxy)phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoic acid Openeye Name: 2-[3-bromo-5-chloro-2-(2-hydroxyethoxy)phenyl]-2-(4-carbamimidoylanilino)acetic acid CAS Name: 2-[3-bromo-5-chloro-2-(2-hydroxyethoxy)phenyl]-2-(4-carbamimidoylanilino)acetic acid IUPAC Name: 2-[3-bromo-5-chloro-2-(2-hydroxyethoxy)phenyl]-2-(4-carbamimidoylanilino)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-bromo-5-chloro-2-(2-hydroxyethoxy)phenyl]acetic acid Formula: C17H17BrClN3O4 MolecularWeight: 442.69158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)NC(C2=CC(=CC(=C2OCCO)Br)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)NC(C2=CC(=CC(=C2OCCO)Br)Cl)C(=O)O

InChI

InChI=1S/C17H17BrClN3O4/c18-13-8-10(19)7-12(15(13)26-6-5-23)14(17(24)25)22-11-3-1-9(2-4-11)16(20)21/h1-4,7-8,14,22-23H,5-6H2,(H3,20,21)(H,24,25)