methyl 1-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl]isonipecotic acid methyl ester Formula: C16H20BrFN2O3 MolecularWeight: 387.244003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C16H20BrFN2O3/c1-10(20-7-5-11(6-8-20)16(22)23-2)15(21)19-14-4-3-12(17)9-13(14)18/h3-4,9-11H,5-8H2,1-2H3,(H,19,21)