3-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-2-(2-hydroxyethyloxy)-5-methoxy-benzoic acid

Systemtic Name: 3-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-2-(2-hydroxyethyloxy)-5-methoxy-benzoic acid Openeye Name: 3-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxo-ethyl]-2-(2-hydroxyethoxy)-5-methoxy-benzoic acid CAS Name: 3-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxoethyl]-2-(2-hydroxyethoxy)-5-methoxybenzoic acid IUPAC Name: 3-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxoethyl]-2-(2-hydroxyethoxy)-5-methoxybenzoic acid Traditional Name: 3-[1-(4-amidinoanilino)-2-hydroxy-2-keto-ethyl]-2-(2-hydroxyethoxy)-5-methoxy-benzoic acid Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7/c1-28-12-8-13(16(29-7-6-23)14(9-12)18(24)25)15(19(26)27)22-11-4-2-10(3-5-11)17(20)21/h2-5,8-9,15,22-23H,6-7H2,1H3,(H3,20,21)(H,24,25)(H,26,27)