(3R,4S)-4-[[(5-chloranyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]methyl]-3-oxidanyl-piperidine-1-carboxylate

Systemtic Name: (3R,4S)-4-[[(5-chloranyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]methyl]-3-oxidanyl-piperidine-1-carboxylate Openeye Name: (3R,4S)-4-[[(5-chloro-2,3-dihydrobenzofuran-7-carbonyl)amino]methyl]-3-hydroxy-piperidine-1-carboxylate CAS Name: (3R,4S)-4-[[[(5-chloro-2,3-dihydrobenzofuran-7-yl)-oxomethyl]amino]methyl]-3-hydroxy-1-piperidinecarboxylate IUPAC Name: (3R,4S)-4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]-3-hydroxypiperidine-1-carboxylate Traditional Name: (3R,4S)-4-[[(5-chlorocoumaran-7-carbonyl)amino]methyl]-3-hydroxy-piperidine-1-carboxylate Formula: C16H18ClN2O5- MolecularWeight: 353.77752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1CNC(=O)C2=CC(=CC3=C2OCC3)Cl)O)C(=O)[O-]

Isomeric SMILES

C1CN(C[C@@H]([C@@H]1CNC(=O)C2=CC(=CC3=C2OCC3)Cl)O)C(=O)[O-]

InChI

InChI=1S/C16H19ClN2O5/c17-11-5-9-2-4-24-14(9)12(6-11)15(21)18-7-10-1-3-19(16(22)23)8-13(10)20/h5-6,10,13,20H,1-4,7-8H2,(H,18,21)(H,22,23)/p-1/t10-,13-/m0/s1