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

Systemtic Name: ethyl 1-[3,4,5-triacetyloxy-6-[3-(1-methylbenzimidazol-2-yl)propanoylamino]oxan-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3,4,5-triacetoxy-6-[3-(1-methylbenzimidazol-2-yl)propanoylamino]tetrahydropyran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[3,4,5-triacetyloxy-6-[[3-(1-methyl-2-benzimidazolyl)-1-oxopropyl]amino]-2-oxanyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,4,5-triacetyloxy-6-[3-(1-methylbenzimidazol-2-yl)propanoylamino]oxane-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3,4,5-triacetoxy-6-[3-(1-methylbenzimidazol-2-yl)propanoylamino]tetrahydropyran-2-carbonyl]isonipecotic acid ethyl ester Formula: C31H40N4O11 MolecularWeight: 644.6695

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2C(C(C(C(O2)NC(=O)CCC3=NC4=CC=CC=C4N3C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2C(C(C(C(O2)NC(=O)CCC3=NC4=CC=CC=C4N3C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C31H40N4O11/c1-6-42-31(41)20-13-15-35(16-14-20)30(40)28-26(44-18(3)37)25(43-17(2)36)27(45-19(4)38)29(46-28)33-24(39)12-11-23-32-21-9-7-8-10-22(21)34(23)5/h7-10,20,25-29H,6,11-16H2,1-5H3,(H,33,39)