7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-oxidanylidene-6-propyl-1H-quinoline-2-carboxylic acid

Systemtic Name: 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-oxidanylidene-6-propyl-1H-quinoline-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-oxo-6-propyl-1H-quinoline-2-carboxylic acid CAS Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-6-propyl-1H-quinoline-2-carboxylic acid IUPAC Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-6-propyl-1H-quinoline-2-carboxylic acid Traditional Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-keto-6-propyl-1H-quinoline-2-carboxylic acid Formula: C27H31NO7 MolecularWeight: 481.53754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C=C(N2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)O)CCC

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C=C(N2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)O)CCC

InChI

InChI=1S/C27H31NO7/c1-4-7-17-13-20-21(28-22(27(32)33)14-23(20)30)15-25(17)35-12-6-11-34-24-10-9-18(16(3)29)26(31)19(24)8-5-2/h9-10,13-15,31H,4-8,11-12H2,1-3H3,(H,28,30)(H,32,33)