ethyl 1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbonyl]-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbonyl]-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: 1-[(3-ethyl-5-methyl-4-isoxazolyl)-oxomethyl]-3-[(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)-3-(4-fluorobenzyl)nipecotic acid ethyl ester Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)N2CCCC(C2)(CC3=CC=C(C=C3)F)C(=O)OCC)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)N2CCCC(C2)(CC3=CC=C(C=C3)F)C(=O)OCC)C

InChI

InChI=1S/C22H27FN2O4/c1-4-18-19(15(3)29-24-18)20(26)25-12-6-11-22(14-25,21(27)28-5-2)13-16-7-9-17(23)10-8-16/h7-10H,4-6,11-14H2,1-3H3