ethyl (3S)-1-(cyclopenten-1-ylcarbonyl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(cyclopenten-1-ylcarbonyl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(cyclopentene-1-carbonyl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[1-cyclopentenyl(oxo)methyl]-3-[(2-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(cyclopentene-1-carbonyl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(cyclopentene-1-carbonyl)-3-(2-fluorobenzyl)nipecotic acid ethyl ester Formula: C21H26FNO3 MolecularWeight: 359.434443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CCCC2)CC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CCCC2)CC3=CC=CC=C3F

InChI

InChI=1S/C21H26FNO3/c1-2-26-20(25)21(14-17-10-5-6-11-18(17)22)12-7-13-23(15-21)19(24)16-8-3-4-9-16/h5-6,8,10-11H,2-4,7,9,12-15H2,1H3/t21-/m0/s1