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

Systemtic Name: 1-butyl-7-[3-(1-butyl-3-carboxy-4-oxidanylidene-quinolin-7-yl)oxy-2-oxidanyl-propoxy]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-butyl-7-[3-[(1-butyl-3-carboxy-4-oxo-7-quinolyl)oxy]-2-hydroxy-propoxy]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-butyl-7-[3-[(1-butyl-3-carboxy-4-oxo-7-quinolinyl)oxy]-2-hydroxypropoxy]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-butyl-7-[3-(1-butyl-3-carboxy-4-oxoquinolin-7-yl)oxy-2-hydroxypropoxy]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-butyl-7-[3-[(1-butyl-3-carboxy-4-keto-7-quinolyl)oxy]-2-hydroxy-propoxy]-4-keto-quinoline-3-carboxylic acid Formula: C31H34N2O9 MolecularWeight: 578.60966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)C2=C1C=C(C=C2)OCC(COC3=CC4=C(C=C3)C(=O)C(=CN4CCCC)C(=O)O)O)C(=O)O

Isomeric SMILES

CCCCN1C=C(C(=O)C2=C1C=C(C=C2)OCC(COC3=CC4=C(C=C3)C(=O)C(=CN4CCCC)C(=O)O)O)C(=O)O

InChI

InChI=1S/C31H34N2O9/c1-3-5-11-32-15-24(30(37)38)28(35)22-9-7-20(13-26(22)32)41-17-19(34)18-42-21-8-10-23-27(14-21)33(12-6-4-2)16-25(29(23)36)31(39)40/h7-10,13-16,19,34H,3-6,11-12,17-18H2,1-2H3,(H,37,38)(H,39,40)