[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 7-fluoro-2-methyl-quinoline-3-carboxylate CAS Name: 7-fluoro-2-methyl-3-quinolinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate Traditional Name: 7-fluoro-2-methyl-quinoline-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H25FN2O3 MolecularWeight: 396.454603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H25FN2O3/c1-13-19(7-17-2-3-18(24)8-20(17)25-13)22(28)29-12-21(27)26-23-9-14-4-15(10-23)6-16(5-14)11-23/h2-3,7-8,14-16H,4-6,9-12H2,1H3,(H,26,27)