trimethyl (2S,3R,8aS)-3-cyano-2-pyridin-3-yl-3,8a-dihydro-2H-indolizine-1,1,6-tricarboxylate

Systemtic Name: trimethyl (2S,3R,8aS)-3-cyano-2-pyridin-3-yl-3,8a-dihydro-2H-indolizine-1,1,6-tricarboxylate Openeye Name: trimethyl (2S,3R,8aS)-3-cyano-2-(3-pyridyl)-3,8a-dihydro-2H-indolizine-1,1,6-tricarboxylate CAS Name: (2S,3R,8aS)-3-cyano-2-(3-pyridinyl)-3,8a-dihydro-2H-indolizine-1,1,6-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (2S,3R,8aS)-3-cyano-2-pyridin-3-yl-3,8a-dihydro-2H-indolizine-1,1,6-tricarboxylate Traditional Name: (2S,3R,8aS)-3-cyano-2-(3-pyridyl)-3,8a-dihydro-2H-indolizine-1,1,6-tricarboxylic acid trimethyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN2C(C=C1)C(C(C2C#N)C3=CN=CC=C3)(C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=CN2[C@@H](C=C1)C([C@@H]([C@@H]2C#N)C3=CN=CC=C3)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H19N3O6/c1-27-17(24)13-6-7-15-20(18(25)28-2,19(26)29-3)16(12-5-4-8-22-10-12)14(9-21)23(15)11-13/h4-8,10-11,14-16H,1-3H3/t14-,15-,16+/m0/s1