methyl 4-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-6-fluoranyl-quinoline-2-carboxylate

Systemtic Name: methyl 4-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-6-fluoranyl-quinoline-2-carboxylate Openeye Name: methyl 4-[2-(1-adamantyl)-2-oxo-ethoxy]-6-fluoro-quinoline-2-carboxylate CAS Name: 4-[2-(1-adamantyl)-2-oxoethoxy]-6-fluoro-2-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(1-adamantyl)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate Traditional Name: 4-[2-(1-adamantyl)-2-keto-ethoxy]-6-fluoro-quinaldic acid methyl ester Formula: C23H24FNO4 MolecularWeight: 397.439363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=C(C=C(C=C2)F)C(=C1)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=NC2=C(C=C(C=C2)F)C(=C1)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H24FNO4/c1-28-22(27)19-8-20(17-7-16(24)2-3-18(17)25-19)29-12-21(26)23-9-13-4-14(10-23)6-15(5-13)11-23/h2-3,7-8,13-15H,4-6,9-12H2,1H3