7-[3-(3-carboxy-1-ethyl-4-oxidanylidene-quinolin-7-yl)oxy-2-oxidanyl-propoxy]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(3-carboxy-1-ethyl-4-oxidanylidene-quinolin-7-yl)oxy-2-oxidanyl-propoxy]-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[(3-carboxy-1-ethyl-4-oxo-7-quinolyl)oxy]-2-hydroxy-propoxy]-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[(3-carboxy-1-ethyl-4-oxo-7-quinolinyl)oxy]-2-hydroxypropoxy]-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(3-carboxy-1-ethyl-4-oxoquinolin-7-yl)oxy-2-hydroxypropoxy]-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[(3-carboxy-1-ethyl-4-keto-7-quinolyl)oxy]-2-hydroxy-propoxy]-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C27H26N2O9 MolecularWeight: 522.50334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=C(C=C2)OCC(COC3=CC4=C(C=C3)C(=O)C(=CN4CC)C(=O)O)O)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)OCC(COC3=CC4=C(C=C3)C(=O)C(=CN4CC)C(=O)O)O)C(=O)O

InChI

InChI=1S/C27H26N2O9/c1-3-28-11-20(26(33)34)24(31)18-7-5-16(9-22(18)28)37-13-15(30)14-38-17-6-8-19-23(10-17)29(4-2)12-21(25(19)32)27(35)36/h5-12,15,30H,3-4,13-14H2,1-2H3,(H,33,34)(H,35,36)