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

Systemtic Name: 2-[5-bromanyl-2-(carboxymethyloxy)-3-methoxy-phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoic acid Openeye Name: 2-[5-bromo-2-(carboxymethyloxy)-3-methoxy-phenyl]-2-(4-carbamimidoylanilino)acetic acid CAS Name: 2-[5-bromo-2-(carboxymethyloxy)-3-methoxyphenyl]-2-(4-carbamimidoylanilino)acetic acid IUPAC Name: 2-[5-bromo-2-(carboxymethyloxy)-3-methoxyphenyl]-2-(4-carbamimidoylanilino)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-bromo-2-(carboxymethyloxy)-3-methoxy-phenyl]acetic acid Formula: C18H18BrN3O6 MolecularWeight: 452.25602

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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)OCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O6/c1-27-13-7-10(19)6-12(16(13)28-8-14(23)24)15(18(25)26)22-11-4-2-9(3-5-11)17(20)21/h2-7,15,22H,8H2,1H3,(H3,20,21)(H,23,24)(H,25,26)