[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C25H29FN2O4 MolecularWeight: 440.507163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H29FN2O4/c1-3-17-6-5-7-18(4-2)23(17)27-22(29)16-32-25(31)20-12-14-28(15-13-20)24(30)19-8-10-21(26)11-9-19/h5-11,20H,3-4,12-16H2,1-2H3,(H,27,29)