[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C24H27FN2O6 MolecularWeight: 458.479383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C24H27FN2O6/c1-31-20-8-3-16(13-21(20)32-2)14-26-22(28)15-33-24(30)18-9-11-27(12-10-18)23(29)17-4-6-19(25)7-5-17/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,26,28)