3-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-1H-quinolin-2-yl]propanoic acid

Systemtic Name: 3-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-1H-quinolin-2-yl]propanoic acid Openeye Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-1H-quinolin-2-yl]propanoic acid CAS Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1H-quinolin-2-yl]propanoic acid IUPAC Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1H-quinolin-2-yl]propanoic acid Traditional Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-keto-8-propyl-1H-quinolin-2-yl]propionic acid Formula: C29H35NO8 MolecularWeight: 525.5901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35NO8/c1-4-6-22-25(12-10-21-24(33)14-18(30-28(21)22)8-13-27(34)35)37-15-19(32)16-38-26-11-9-20(17(3)31)29(36)23(26)7-5-2/h9-12,14,19,32,36H,4-8,13,15-16H2,1-3H3,(H,30,33)(H,34,35)