sodium 6-butanoyl-4-ethoxy-7-methyl-quinoline-2-carboxylate

Systemtic Name: sodium 6-butanoyl-4-ethoxy-7-methyl-quinoline-2-carboxylate Openeye Name: sodium 6-butanoyl-4-ethoxy-7-methyl-quinoline-2-carboxylate CAS Name: sodium 4-ethoxy-7-methyl-6-(1-oxobutyl)-2-quinolinecarboxylate IUPAC Name: sodium 6-butanoyl-4-ethoxy-7-methylquinoline-2-carboxylate Traditional Name: sodium 6-butyryl-4-ethoxy-7-methyl-quinaldate Formula: C17H18NNaO4 MolecularWeight: 323.31889

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=C2C(=C1)C(=CC(=N2)C(=O)[O-])OCC)C.[Na+]

Isomeric SMILES

CCCC(=O)C1=C(C=C2C(=C1)C(=CC(=N2)C(=O)[O-])OCC)C.[Na+]

InChI

InChI=1S/C17H19NO4.Na/c1-4-6-15(19)11-8-12-13(7-10(11)3)18-14(17(20)21)9-16(12)22-5-2;/h7-9H,4-6H2,1-3H3,(H,20,21);/q;+1/p-1