(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid (2-ethoxycarbonyl-3-benzofuranyl)methyl ester IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid (2-carbethoxybenzofuran-3-yl)methyl ester Formula: C25H24FNO6 MolecularWeight: 453.459563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FNO6/c1-2-31-25(30)22-20(19-7-3-4-8-21(19)33-22)15-32-24(29)17-6-5-13-27(14-17)23(28)16-9-11-18(26)12-10-16/h3-4,7-12,17H,2,5-6,13-15H2,1H3