methyl 2-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(2-chloro-6-fluoro-benzyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C21H22ClFN2O3 MolecularWeight: 404.862383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H22ClFN2O3/c1-28-21(27)15-5-2-3-8-19(15)24-20(26)14-9-11-25(12-10-14)13-16-17(22)6-4-7-18(16)23/h2-8,14H,9-13H2,1H3,(H,24,26)