ethyl 1-(1,3-benzodioxol-5-ylcarbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-ylcarbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxole-5-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: 1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-[(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxole-5-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: 3-(4-fluorobenzyl)-1-piperonyloyl-nipecotic acid ethyl ester Formula: C23H24FNO5 MolecularWeight: 413.438763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FNO5/c1-2-28-22(27)23(13-16-4-7-18(24)8-5-16)10-3-11-25(14-23)21(26)17-6-9-19-20(12-17)30-15-29-19/h4-9,12H,2-3,10-11,13-15H2,1H3