(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C25H28FNO4 MolecularWeight: 425.492523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C25H28FNO4/c1-15-13-16(2)23(18(4)28)17(3)22(15)14-31-25(30)20-9-11-27(12-10-20)24(29)19-5-7-21(26)8-6-19/h5-8,13,20H,9-12,14H2,1-4H3