ethyl 8-iodanyl-6-(oxan-4-ylmethyl)-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 8-iodanyl-6-(oxan-4-ylmethyl)-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 8-iodo-4-oxo-6-(tetrahydropyran-4-ylmethyl)-1H-quinoline-3-carboxylate CAS Name: 8-iodo-6-(4-oxanylmethyl)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-iodo-6-(oxan-4-ylmethyl)-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 8-iodo-4-keto-6-(tetrahydropyran-4-ylmethyl)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C18H20INO4 MolecularWeight: 441.26017

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C=C(C=C2C1=O)CC3CCOCC3)I

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C=C(C=C2C1=O)CC3CCOCC3)I

InChI

InChI=1S/C18H20INO4/c1-2-24-18(22)14-10-20-16-13(17(14)21)8-12(9-15(16)19)7-11-3-5-23-6-4-11/h8-11H,2-7H2,1H3,(H,20,21)