ethyl (3R)-3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-isoquinolin-3-ylcarbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-isoquinolin-3-ylcarbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-[(2,4-difluorophenyl)methyl]-1-(isoquinoline-3-carbonyl)piperidine-3-carboxylate CAS Name: (3R)-3-[(2,4-difluorophenyl)methyl]-1-[3-isoquinolinyl(oxo)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(2,4-difluorophenyl)methyl]-1-(isoquinoline-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3R)-3-(2,4-difluorobenzyl)-1-(isoquinoline-3-carbonyl)nipecotic acid ethyl ester Formula: C25H24F2N2O3 MolecularWeight: 438.466466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=CC=CC=C3C=N2)CC4=C(C=C(C=C4)F)F

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)C2=CC3=CC=CC=C3C=N2)CC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C25H24F2N2O3/c1-2-32-24(31)25(14-18-8-9-20(26)13-21(18)27)10-5-11-29(16-25)23(30)22-12-17-6-3-4-7-19(17)15-28-22/h3-4,6-9,12-13,15H,2,5,10-11,14,16H2,1H3/t25-/m1/s1