(5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (5-methoxycarbonyl-4-methyl-2-furyl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid (5-methoxycarbonyl-4-methyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid (5-carbomethoxy-4-methyl-2-furyl)methyl ester Formula: C21H22FNO6 MolecularWeight: 403.400883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)COC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)COC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C21H22FNO6/c1-13-10-17(29-18(13)21(26)27-2)12-28-20(25)15-4-3-9-23(11-15)19(24)14-5-7-16(22)8-6-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3