ethyl 3-[1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-4-yl]-3-(4-fluorophenyl)propanoate

Systemtic Name: ethyl 3-[1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-4-yl]-3-(4-fluorophenyl)propanoate Openeye Name: ethyl 3-[1-(1,3-benzodioxole-5-carbonyl)-4-piperidyl]-3-(4-fluorophenyl)propanoate CAS Name: 3-[1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-piperidinyl]-3-(4-fluorophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-(4-fluorophenyl)propanoate Traditional Name: 3-(4-fluorophenyl)-3-(1-piperonyloyl-4-piperidyl)propionic acid ethyl ester Formula: C24H26FNO5 MolecularWeight: 427.465343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)CC(C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FNO5/c1-2-29-23(27)14-20(16-3-6-19(25)7-4-16)17-9-11-26(12-10-17)24(28)18-5-8-21-22(13-18)31-15-30-21/h3-8,13,17,20H,2,9-12,14-15H2,1H3