ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(2-oxidanylidenechromen-3-yl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(2-oxidanylidenechromen-3-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxylate CAS Name: (3R)-3-[(2-fluorophenyl)methyl]-1-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(2-oxochromene-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3R)-3-(2-fluorobenzyl)-1-(2-ketochromene-3-carbonyl)nipecotic acid ethyl ester Formula: C25H24FNO5 MolecularWeight: 437.460163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=CC=CC=C3OC2=O)CC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)C2=CC3=CC=CC=C3OC2=O)CC4=CC=CC=C4F

InChI

InChI=1S/C25H24FNO5/c1-2-31-24(30)25(15-18-9-3-5-10-20(18)26)12-7-13-27(16-25)22(28)19-14-17-8-4-6-11-21(17)32-23(19)29/h3-6,8-11,14H,2,7,12-13,15-16H2,1H3/t25-/m1/s1