ethyl 1-[3,4,5-triacetyloxy-6-[(5-bromanylfuran-2-yl)carbonylamino]oxan-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3,4,5-triacetyloxy-6-[(5-bromanylfuran-2-yl)carbonylamino]oxan-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3,4,5-triacetoxy-6-[(5-bromofuran-2-carbonyl)amino]tetrahydropyran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[3,4,5-triacetyloxy-6-[[(5-bromo-2-furanyl)-oxomethyl]amino]-2-oxanyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,4,5-triacetyloxy-6-[(5-bromofuran-2-carbonyl)amino]oxane-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3,4,5-triacetoxy-6-[(5-bromo-2-furoyl)amino]tetrahydropyran-2-carbonyl]isonipecotic acid ethyl ester Formula: C25H31BrN2O12 MolecularWeight: 631.42384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2C(C(C(C(O2)NC(=O)C3=CC=C(O3)Br)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2C(C(C(C(O2)NC(=O)C3=CC=C(O3)Br)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H31BrN2O12/c1-5-35-25(34)15-8-10-28(11-9-15)24(33)21-19(37-13(3)30)18(36-12(2)29)20(38-14(4)31)23(40-21)27-22(32)16-6-7-17(26)39-16/h6-7,15,18-21,23H,5,8-11H2,1-4H3,(H,27,32)