dimethyl 5-[[1-(3-fluorophenyl)carbonylpiperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-(3-fluorophenyl)carbonylpiperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-[(3-fluorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(3-fluorobenzoyl)isonipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H23FN2O6 MolecularWeight: 442.436923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23FN2O6/c1-31-22(29)16-10-17(23(30)32-2)13-19(12-16)25-20(27)14-6-8-26(9-7-14)21(28)15-4-3-5-18(24)11-15/h3-5,10-14H,6-9H2,1-2H3,(H,25,27)