[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C23H24FNO5 MolecularWeight: 413.438763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C23H24FNO5/c1-15-5-3-4-6-18(15)22(27)25-11-9-16(10-12-25)23(28)30-14-20(26)17-7-8-21(29-2)19(24)13-17/h3-8,13,16H,9-12,14H2,1-2H3