6-decoxy-7-ethoxy-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-decoxy-7-ethoxy-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-decoxy-7-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-decoxy-7-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-decoxy-7-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-decoxy-7-ethoxy-4-keto-1H-quinoline-3-carboxylic acid Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)O)OCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)O)OCC

InChI

InChI=1S/C22H31NO5/c1-3-5-6-7-8-9-10-11-12-28-19-13-16-18(14-20(19)27-4-2)23-15-17(21(16)24)22(25)26/h13-15H,3-12H2,1-2H3,(H,23,24)(H,25,26)