5-[3-(2-carboxy-1-methyl-4-oxidanylidene-quinolin-5-yl)oxy-2-oxidanyl-propoxy]-1-methyl-4-oxidanylidene-quinoline-2-carboxylic acid

Systemtic Name: 5-[3-(2-carboxy-1-methyl-4-oxidanylidene-quinolin-5-yl)oxy-2-oxidanyl-propoxy]-1-methyl-4-oxidanylidene-quinoline-2-carboxylic acid Openeye Name: 5-[3-[(2-carboxy-1-methyl-4-oxo-5-quinolyl)oxy]-2-hydroxy-propoxy]-1-methyl-4-oxo-quinoline-2-carboxylic acid CAS Name: 5-[3-[(2-carboxy-1-methyl-4-oxo-5-quinolinyl)oxy]-2-hydroxypropoxy]-1-methyl-4-oxo-2-quinolinecarboxylic acid IUPAC Name: 5-[3-(2-carboxy-1-methyl-4-oxoquinolin-5-yl)oxy-2-hydroxypropoxy]-1-methyl-4-oxoquinoline-2-carboxylic acid Traditional Name: 5-[3-[(2-carboxy-4-keto-1-methyl-5-quinolyl)oxy]-2-hydroxy-propoxy]-4-keto-1-methyl-quinaldic acid Formula: C25H22N2O9 MolecularWeight: 494.45018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)OCC(COC3=CC=CC4=C3C(=O)C=C(N4C)C(=O)O)O)C(=O)C=C1C(=O)O

Isomeric SMILES

CN1C2=C(C(=CC=C2)OCC(COC3=CC=CC4=C3C(=O)C=C(N4C)C(=O)O)O)C(=O)C=C1C(=O)O

InChI

InChI=1S/C25H22N2O9/c1-26-14-5-3-7-20(22(14)18(29)9-16(26)24(31)32)35-11-13(28)12-36-21-8-4-6-15-23(21)19(30)10-17(25(33)34)27(15)2/h3-10,13,28H,11-12H2,1-2H3,(H,31,32)(H,33,34)