1-(1-adamantyl)-7-iodanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(1-adamantyl)-7-iodanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(1-adamantyl)-7-iodo-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(1-adamantyl)-7-iodo-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(1-adamantyl)-7-iodo-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(1-adamantyl)-7-iodo-4-keto-quinoline-3-carboxylic acid Formula: C20H20INO3 MolecularWeight: 449.28217

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=O)C5=C4C=C(C=C5)I)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=O)C5=C4C=C(C=C5)I)C(=O)O

InChI

InChI=1S/C20H20INO3/c21-14-1-2-15-17(6-14)22(10-16(18(15)23)19(24)25)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13H,3-5,7-9H2,(H,24,25)