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

Systemtic Name: 4-[[(4-azanyl-5-chloranyl-2,2-dimethyl-3H-1-benzofuran-7-yl)carbonylamino]methyl]-3-oxidanyl-piperidine-1-carboxylate Openeye Name: 4-[[(4-amino-5-chloro-2,2-dimethyl-3H-benzofuran-7-carbonyl)amino]methyl]-3-hydroxy-piperidine-1-carboxylate CAS Name: 4-[[[(4-amino-5-chloro-2,2-dimethyl-3H-benzofuran-7-yl)-oxomethyl]amino]methyl]-3-hydroxy-1-piperidinecarboxylate IUPAC Name: 4-[[(4-amino-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carbonyl)amino]methyl]-3-hydroxypiperidine-1-carboxylate Traditional Name: 4-[[(4-amino-5-chloro-2,2-dimethyl-coumaran-7-carbonyl)amino]methyl]-3-hydroxy-piperidine-1-carboxylate Formula: C18H23ClN3O5- MolecularWeight: 396.84532

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC(=C2N)Cl)C(=O)NCC3CCN(CC3O)C(=O)[O-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC(=C2N)Cl)C(=O)NCC3CCN(CC3O)C(=O)[O-])C

InChI

InChI=1S/C18H24ClN3O5/c1-18(2)6-11-14(20)12(19)5-10(15(11)27-18)16(24)21-7-9-3-4-22(17(25)26)8-13(9)23/h5,9,13,23H,3-4,6-8,20H2,1-2H3,(H,21,24)(H,25,26)/p-1