[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C26H32FNO4 MolecularWeight: 441.534983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4CCN(CC4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4CCN(CC4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H32FNO4/c1-16(23(29)26-13-17-10-18(14-26)12-19(11-17)15-26)32-25(31)21-6-8-28(9-7-21)24(30)20-2-4-22(27)5-3-20/h2-5,16-19,21H,6-15H2,1H3