[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C22H22FN3O5 MolecularWeight: 427.425583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H22FN3O5/c23-17-7-3-15(4-8-17)21(29)26-11-1-2-16(12-26)22(30)31-13-19(27)25-18-9-5-14(6-10-18)20(24)28/h3-10,16H,1-2,11-13H2,(H2,24,28)(H,25,27)