[4-[4,6-bis(fluoranyl)-1-benzofuran-7-yl]-3,3-dimethyl-1-(phenylmethyl)piperidin-4-yl] 2-oxidanylidenepropanoate

Systemtic Name: [4-[4,6-bis(fluoranyl)-1-benzofuran-7-yl]-3,3-dimethyl-1-(phenylmethyl)piperidin-4-yl] 2-oxidanylidenepropanoate Openeye Name: [1-benzyl-4-(4,6-difluorobenzofuran-7-yl)-3,3-dimethyl-4-piperidyl] 2-oxopropanoate CAS Name: 2-oxopropanoic acid [4-(4,6-difluoro-7-benzofuranyl)-3,3-dimethyl-1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: [1-benzyl-4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidin-4-yl] 2-oxopropanoate Traditional Name: 2-ketopropionic acid [1-benzyl-4-(4,6-difluorobenzofuran-7-yl)-3,3-dimethyl-4-piperidyl] ester Formula: C25H25F2NO4 MolecularWeight: 441.467106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)OC1(CCN(CC1(C)C)CC2=CC=CC=C2)C3=C(C=C(C4=C3OC=C4)F)F

Isomeric SMILES

CC(=O)C(=O)OC1(CCN(CC1(C)C)CC2=CC=CC=C2)C3=C(C=C(C4=C3OC=C4)F)F

InChI

InChI=1S/C25H25F2NO4/c1-16(29)23(30)32-25(21-20(27)13-19(26)18-9-12-31-22(18)21)10-11-28(15-24(25,2)3)14-17-7-5-4-6-8-17/h4-9,12-13H,10-11,14-15H2,1-3H3