disodium 4-oxidanylidene-6-(pentylamino)-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate

Systemtic Name: disodium 4-oxidanylidene-6-(pentylamino)-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Openeye Name: disodium 4-oxo-6-(pentylamino)-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate CAS Name: disodium 4-oxo-6-(pentylamino)-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate IUPAC Name: disodium 4-oxo-6-(pentylamino)-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate Traditional Name: disodium 6-(amylamino)-4-keto-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Formula: C22H22N2Na2O6 MolecularWeight: 456.39942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=CC(=NC2=C(C3=C(C=C12)C(=O)C=C(O3)C(=O)[O-])CCC)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCNC1=CC(=NC2=C(C3=C(C=C12)C(=O)C=C(O3)C(=O)[O-])CCC)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H24N2O6.2Na/c1-3-5-6-8-23-15-10-16(21(26)27)24-19-12(7-4-2)20-14(9-13(15)19)17(25)11-18(30-20)22(28)29;;/h9-11H,3-8H2,1-2H3,(H,23,24)(H,26,27)(H,28,29);;/q;2*+1/p-2