ethyl 1-(3,3-dimethylbutanoyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(3,3-dimethylbutanoyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(3,3-dimethylbutanoyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: 1-(3,3-dimethyl-1-oxobutyl)-3-[(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,3-dimethylbutanoyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(3,3-dimethylbutanoyl)-3-(4-fluorobenzyl)nipecotic acid ethyl ester Formula: C21H30FNO3 MolecularWeight: 363.466203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CC(C)(C)C)CC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CC(C)(C)C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C21H30FNO3/c1-5-26-19(25)21(13-16-7-9-17(22)10-8-16)11-6-12-23(15-21)18(24)14-20(2,3)4/h7-10H,5-6,11-15H2,1-4H3