ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-3-carboxylate CAS Name: (3R)-3-[(2-fluorophenyl)methyl]-1-(3-methyl-1-oxobutyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-3-carboxylate Traditional Name: (3R)-3-(2-fluorobenzyl)-1-isovaleryl-nipecotic acid ethyl ester Formula: C20H28FNO3 MolecularWeight: 349.439623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CC(C)C)CC2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)CC(C)C)CC2=CC=CC=C2F

InChI

InChI=1S/C20H28FNO3/c1-4-25-19(24)20(13-16-8-5-6-9-17(16)21)10-7-11-22(14-20)18(23)12-15(2)3/h5-6,8-9,15H,4,7,10-14H2,1-3H3/t20-/m1/s1