propyl 1-[3-[2,6-bis(fluoranyl)phenyl]prop-2-ynyl]piperidine-3-carboxylate

Systemtic Name: propyl 1-[3-[2,6-bis(fluoranyl)phenyl]prop-2-ynyl]piperidine-3-carboxylate Openeye Name: propyl 1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine-3-carboxylate CAS Name: 1-[3-(2,6-difluorophenyl)prop-2-ynyl]-3-piperidinecarboxylic acid propyl ester IUPAC Name: propyl 1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine-3-carboxylate Traditional Name: 1-[3-(2,6-difluorophenyl)prop-2-ynyl]nipecotic acid propyl ester Formula: C18H21F2NO2 MolecularWeight: 321.361646

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1CCCN(C1)CC#CC2=C(C=CC=C2F)F

Isomeric SMILES

CCCOC(=O)C1CCCN(C1)CC#CC2=C(C=CC=C2F)F

InChI

InChI=1S/C18H21F2NO2/c1-2-12-23-18(22)14-6-4-10-21(13-14)11-5-7-15-16(19)8-3-9-17(15)20/h3,8-9,14H,2,4,6,10-13H2,1H3