dimethyl 2-[[1-(3-fluorophenyl)carbonylpiperidin-4-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[1-(3-fluorophenyl)carbonylpiperidin-4-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[1-[(3-fluorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[1-(3-fluorobenzoyl)isonipecotoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H23FN2O6 MolecularWeight: 442.436923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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