ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-quinoxalin-5-ylcarbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-quinoxalin-5-ylcarbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(quinoxaline-5-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-fluorophenyl)methyl]-1-[oxo(5-quinoxalinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(quinoxaline-5-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-fluorobenzyl)-1-(quinoxaline-5-carbonyl)nipecotic acid ethyl ester Formula: C24H24FN3O3 MolecularWeight: 421.464063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C3C(=CC=C2)N=CC=N3)CC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=C3C(=CC=C2)N=CC=N3)CC4=CC=CC=C4F

InChI

InChI=1S/C24H24FN3O3/c1-2-31-23(30)24(15-17-7-3-4-9-19(17)25)11-6-14-28(16-24)22(29)18-8-5-10-20-21(18)27-13-12-26-20/h3-5,7-10,12-13H,2,6,11,14-16H2,1H3/t24-/m0/s1