7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-1H-quinoline-2-carboxylic acid

Systemtic Name: 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-1H-quinoline-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-1H-quinoline-2-carboxylic acid CAS Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1H-quinoline-2-carboxylic acid IUPAC Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1H-quinoline-2-carboxylic acid Traditional Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-keto-8-propyl-1H-quinoline-2-carboxylic acid Formula: C27H31NO8 MolecularWeight: 497.53694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1NC(=CC2=O)C(=O)O)OCC(COC3=C(C(=C(C=C3)C(=O)C)O)CCC)O

Isomeric SMILES

CCCC1=C(C=CC2=C1NC(=CC2=O)C(=O)O)OCC(COC3=C(C(=C(C=C3)C(=O)C)O)CCC)O

InChI

InChI=1S/C27H31NO8/c1-4-6-19-23(11-9-18-22(31)12-21(27(33)34)28-25(18)19)35-13-16(30)14-36-24-10-8-17(15(3)29)26(32)20(24)7-5-2/h8-12,16,30,32H,4-7,13-14H2,1-3H3,(H,28,31)(H,33,34)