methyl 1-(1-adamantyl)-6-chloranyl-7-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: methyl 1-(1-adamantyl)-6-chloranyl-7-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: methyl 1-(1-adamantyl)-6-chloro-7-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-(1-adamantyl)-6-chloro-7-fluoro-4-oxo-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1-adamantyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-(1-adamantyl)-6-chloro-7-fluoro-4-keto-quinoline-3-carboxylic acid methyl ester Formula: C21H21ClFNO3 MolecularWeight: 389.847743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC(=C(C=C2C1=O)Cl)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C2=CC(=C(C=C2C1=O)Cl)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H21ClFNO3/c1-27-20(26)15-10-24(18-6-17(23)16(22)5-14(18)19(15)25)21-7-11-2-12(8-21)4-13(3-11)9-21/h5-6,10-13H,2-4,7-9H2,1H3