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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-(carboxymethyloxy)-5-ethoxy-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-(carboxymethyloxy)-5-ethoxy-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-(carboxymethyloxy)-5-ethoxyphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-(carboxymethyloxy)-5-ethoxyphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-(carboxymethyloxy)-5-ethoxy-phenyl]acetic acid Formula: C19H21N3O6 MolecularWeight: 387.38654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OCC(=O)O)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OCC(=O)O)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H21N3O6/c1-2-27-14-7-12(8-15(9-14)28-10-16(23)24)17(19(25)26)22-13-5-3-11(4-6-13)18(20)21/h3-9,17,22H,2,10H2,1H3,(H3,20,21)(H,23,24)(H,25,26)