(5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: (5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (5-methoxycarbonyl-4-methyl-2-furyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2,4-difluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (5-methoxycarbonyl-4-methyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2,4-difluorobenzoyl)isonipecotic acid (5-carbomethoxy-4-methyl-2-furyl)methyl ester Formula: C21H21F2NO6 MolecularWeight: 421.391346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)COC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)COC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F)C(=O)OC

InChI

InChI=1S/C21H21F2NO6/c1-12-9-15(30-18(12)21(27)28-2)11-29-20(26)13-5-7-24(8-6-13)19(25)16-4-3-14(22)10-17(16)23/h3-4,9-10,13H,5-8,11H2,1-2H3