methyl 4-chloranyl-3-[[1-(4-fluorophenyl)carbonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-(4-fluorophenyl)carbonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-[(4-fluorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-(4-fluorobenzoyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C21H20ClFN2O4 MolecularWeight: 418.845903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O4/c1-29-21(28)15-4-7-17(22)18(12-15)24-19(26)13-8-10-25(11-9-13)20(27)14-2-5-16(23)6-3-14/h2-7,12-13H,8-11H2,1H3,(H,24,26)