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

Systemtic Name: tert-butyl 4-[[(4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]methyl]-3-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(4-amino-5-chloro-2,3-dihydrobenzofuran-7-carbonyl)amino]methyl]-3-hydroxy-piperidine-1-carboxylate CAS Name: 4-[[[(4-amino-5-chloro-2,3-dihydrobenzofuran-7-yl)-oxomethyl]amino]methyl]-3-hydroxy-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carbonyl)amino]methyl]-3-hydroxypiperidine-1-carboxylate Traditional Name: 4-[[(4-amino-5-chloro-coumaran-7-carbonyl)amino]methyl]-3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester Formula: C20H28ClN3O5 MolecularWeight: 425.90642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)O)CNC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)O)CNC(=O)C2=CC(=C(C3=C2OCC3)N)Cl

InChI

InChI=1S/C20H28ClN3O5/c1-20(2,3)29-19(27)24-6-4-11(15(25)10-24)9-23-18(26)13-8-14(21)16(22)12-5-7-28-17(12)13/h8,11,15,25H,4-7,9-10,22H2,1-3H3,(H,23,26)