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

Systemtic Name: ethyl 3-[(4-fluorophenyl)methyl]-1-[(2-propan-2-yl-1,3-thiazol-4-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(4-fluorophenyl)methyl]-1-(2-isopropylthiazole-4-carbonyl)piperidine-3-carboxylate CAS Name: 3-[(4-fluorophenyl)methyl]-1-[oxo-(2-propan-2-yl-4-thiazolyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorophenyl)methyl]-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(4-fluorobenzyl)-1-(2-isopropylthiazole-4-carbonyl)nipecotic acid ethyl ester Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CSC(=N2)C(C)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CSC(=N2)C(C)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O3S/c1-4-28-21(27)22(12-16-6-8-17(23)9-7-16)10-5-11-25(14-22)20(26)18-13-29-19(24-18)15(2)3/h6-9,13,15H,4-5,10-12,14H2,1-3H3