7-[2-(4-carbamimidoylphenoxy)ethoxy]-1-(carboxymethyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(4-carbamimidoylphenoxy)ethoxy]-1-(carboxymethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(4-carbamimidoylphenoxy)ethoxy]-1-(carboxymethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(4-carbamimidoylphenoxy)ethoxy]-1-(carboxymethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(4-carbamimidoylphenoxy)ethoxy]-1-(carboxymethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-(4-amidinophenoxy)ethoxy]-1-(carboxymethyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)OCCOC2=CC3=C(C=C2)C(=O)C(=CN3CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)OCCOC2=CC3=C(C=C2)C(=O)C(=CN3CC(=O)O)C(=O)O

InChI

InChI=1S/C21H19N3O7/c22-20(23)12-1-3-13(4-2-12)30-7-8-31-14-5-6-15-17(9-14)24(11-18(25)26)10-16(19(15)27)21(28)29/h1-6,9-10H,7-8,11H2,(H3,22,23)(H,25,26)(H,28,29)