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

Systemtic Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-isoquinolin-1-ylcarbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(isoquinoline-1-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-fluorophenyl)methyl]-1-[1-isoquinolinyl(oxo)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(isoquinoline-1-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-fluorobenzyl)-1-(isoquinoline-1-carbonyl)nipecotic acid ethyl ester Formula: C25H25FN2O3 MolecularWeight: 420.476003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NC=CC3=CC=CC=C32)CC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=NC=CC3=CC=CC=C32)CC4=CC=CC=C4F

InChI

InChI=1S/C25H25FN2O3/c1-2-31-24(30)25(16-19-9-4-6-11-21(19)26)13-7-15-28(17-25)23(29)22-20-10-5-3-8-18(20)12-14-27-22/h3-6,8-12,14H,2,7,13,15-17H2,1H3/t25-/m0/s1