ethyl 1-[[3-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]benzyl]isonipecotic acid ethyl ester Formula: C19H22ClFN4O2 MolecularWeight: 392.854983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC(=CC=C2)NC3=NC(=NC=C3F)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC(=CC=C2)NC3=NC(=NC=C3F)Cl

InChI

InChI=1S/C19H22ClFN4O2/c1-2-27-18(26)14-6-8-25(9-7-14)12-13-4-3-5-15(10-13)23-17-16(21)11-22-19(20)24-17/h3-5,10-11,14H,2,6-9,12H2,1H3,(H,22,23,24)