3-[[4-(2-ethoxy-3-oxidanyl-3-oxidanylidene-propyl)phenoxy]methyl]-4-propan-2-yloxy-quinoline-8-carboxylic acid

Systemtic Name: 3-[[4-(2-ethoxy-3-oxidanyl-3-oxidanylidene-propyl)phenoxy]methyl]-4-propan-2-yloxy-quinoline-8-carboxylic acid Openeye Name: 3-[[4-(2-ethoxy-3-hydroxy-3-oxo-propyl)phenoxy]methyl]-4-isopropoxy-quinoline-8-carboxylic acid CAS Name: 3-[[4-(2-ethoxy-3-hydroxy-3-oxopropyl)phenoxy]methyl]-4-propan-2-yloxy-8-quinolinecarboxylic acid IUPAC Name: 3-[[4-(2-ethoxy-3-hydroxy-3-oxopropyl)phenoxy]methyl]-4-propan-2-yloxyquinoline-8-carboxylic acid Traditional Name: 3-[[4-(2-ethoxy-3-hydroxy-3-keto-propyl)phenoxy]methyl]-4-isopropoxy-quinoline-8-carboxylic acid Formula: C25H27NO7 MolecularWeight: 453.48438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCC2=CN=C3C(=C2OC(C)C)C=CC=C3C(=O)O)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCC2=CN=C3C(=C2OC(C)C)C=CC=C3C(=O)O)C(=O)O

InChI

InChI=1S/C25H27NO7/c1-4-31-21(25(29)30)12-16-8-10-18(11-9-16)32-14-17-13-26-22-19(23(17)33-15(2)3)6-5-7-20(22)24(27)28/h5-11,13,15,21H,4,12,14H2,1-3H3,(H,27,28)(H,29,30)