ethyl 1-(1-adamantyl)-7-iodanyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(1-adamantyl)-7-iodanyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-(1-adamantyl)-7-iodo-4-oxo-quinoline-3-carboxylate CAS Name: 1-(1-adamantyl)-7-iodo-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-adamantyl)-7-iodo-4-oxoquinoline-3-carboxylate Traditional Name: 1-(1-adamantyl)-7-iodo-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C22H24INO3 MolecularWeight: 477.33533

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)I)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)I)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H24INO3/c1-2-27-21(26)18-12-24(19-8-16(23)3-4-17(19)20(18)25)22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,12-15H,2,5-7,9-11H2,1H3