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

Systemtic Name: 2-[5-bromanyl-2-(2-hydroxyethyloxy)-3-methoxy-phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoic acid Openeye Name: 2-[5-bromo-2-(2-hydroxyethoxy)-3-methoxy-phenyl]-2-(4-carbamimidoylanilino)acetic acid CAS Name: 2-[5-bromo-2-(2-hydroxyethoxy)-3-methoxyphenyl]-2-(4-carbamimidoylanilino)acetic acid IUPAC Name: 2-[5-bromo-2-(2-hydroxyethoxy)-3-methoxyphenyl]-2-(4-carbamimidoylanilino)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-bromo-2-(2-hydroxyethoxy)-3-methoxy-phenyl]acetic acid Formula: C18H20BrN3O5 MolecularWeight: 438.2725

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCO

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCO

InChI

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