ethyl 1-[1-(butylcarbamoyl)-6-(4-fluorophenyl)piperidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(butylcarbamoyl)-6-(4-fluorophenyl)piperidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(butylcarbamoyl)-6-(4-fluorophenyl)piperidine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[butylamino(oxo)methyl]-6-(4-fluorophenyl)-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(butylcarbamoyl)-6-(4-fluorophenyl)piperidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(butylcarbamoyl)-6-(4-fluorophenyl)nipecotoyl]nipecotic acid ethyl ester Formula: C25H36FN3O4 MolecularWeight: 461.569443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC(CCC1C2=CC=C(C=C2)F)C(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCCCNC(=O)N1CC(CCC1C2=CC=C(C=C2)F)C(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C25H36FN3O4/c1-3-5-14-27-25(32)29-17-19(10-13-22(29)18-8-11-21(26)12-9-18)23(30)28-15-6-7-20(16-28)24(31)33-4-2/h8-9,11-12,19-20,22H,3-7,10,13-17H2,1-2H3,(H,27,32)