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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[2-(carboxymethyloxy)-3,5-dimethoxy-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[2-(carboxymethyloxy)-3,5-dimethoxy-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[2-(carboxymethyloxy)-3,5-dimethoxyphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[2-(carboxymethyloxy)-3,5-dimethoxyphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[2-(carboxymethyloxy)-3,5-dimethoxy-phenyl]acetic acid Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7/c1-27-12-7-13(17(14(8-12)28-2)29-9-15(23)24)16(19(25)26)22-11-5-3-10(4-6-11)18(20)21/h3-8,16,22H,9H2,1-2H3,(H3,20,21)(H,23,24)(H,25,26)