ethyl (1S,3R,8aS)-1,6-diaminocarbonyl-1-cyano-2-(3-fluorophenyl)-3,8a-dihydro-2H-indolizine-3-carboxylate

Systemtic Name: ethyl (1S,3R,8aS)-1,6-diaminocarbonyl-1-cyano-2-(3-fluorophenyl)-3,8a-dihydro-2H-indolizine-3-carboxylate Openeye Name: ethyl (1S,3R,8aS)-1,6-dicarbamoyl-1-cyano-2-(3-fluorophenyl)-3,8a-dihydro-2H-indolizine-3-carboxylate CAS Name: (1S,3R,8aS)-1,6-dicarbamoyl-1-cyano-2-(3-fluorophenyl)-3,8a-dihydro-2H-indolizine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,3R,8aS)-1,6-dicarbamoyl-1-cyano-2-(3-fluorophenyl)-3,8a-dihydro-2H-indolizine-3-carboxylate Traditional Name: (1S,3R,8aS)-1,6-dicarbamoyl-1-cyano-2-(3-fluorophenyl)-3,8a-dihydro-2H-indolizine-3-carboxylic acid ethyl ester Formula: C20H19FN4O4 MolecularWeight: 398.387663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C2N1C=C(C=C2)C(=O)N)(C#N)C(=O)N)C3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)[C@H]1C([C@]([C@H]2N1C=C(C=C2)C(=O)N)(C#N)C(=O)N)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H19FN4O4/c1-2-29-18(27)16-15(11-4-3-5-13(21)8-11)20(10-22,19(24)28)14-7-6-12(17(23)26)9-25(14)16/h3-9,14-16H,2H2,1H3,(H2,23,26)(H2,24,28)/t14-,15?,16+,20+/m0/s1