propan-2-yl (1R,2R,3R,8aS)-1,6-diaminocarbonyl-1-cyano-2-[2-(trifluoromethyl)phenyl]-3,8a-dihydro-2H-indolizine-3-carboxylate

Systemtic Name: propan-2-yl (1R,2R,3R,8aS)-1,6-diaminocarbonyl-1-cyano-2-[2-(trifluoromethyl)phenyl]-3,8a-dihydro-2H-indolizine-3-carboxylate Openeye Name: isopropyl (1R,2R,3R,8aS)-1,6-dicarbamoyl-1-cyano-2-[2-(trifluoromethyl)phenyl]-3,8a-dihydro-2H-indolizine-3-carboxylate CAS Name: (1R,2R,3R,8aS)-1,6-dicarbamoyl-1-cyano-2-[2-(trifluoromethyl)phenyl]-3,8a-dihydro-2H-indolizine-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (1R,2R,3R,8aS)-1,6-dicarbamoyl-1-cyano-2-[2-(trifluoromethyl)phenyl]-3,8a-dihydro-2H-indolizine-3-carboxylate Traditional Name: (1R,2R,3R,8aS)-1,6-dicarbamoyl-1-cyano-2-[2-(trifluoromethyl)phenyl]-3,8a-dihydro-2H-indolizine-3-carboxylic acid isopropyl ester Formula: C22H21F3N4O4 MolecularWeight: 462.42175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(C(C2N1C=C(C=C2)C(=O)N)(C#N)C(=O)N)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)OC(=O)[C@H]1[C@@H]([C@@]([C@H]2N1C=C(C=C2)C(=O)N)(C#N)C(=O)N)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H21F3N4O4/c1-11(2)33-19(31)17-16(13-5-3-4-6-14(13)22(23,24)25)21(10-26,20(28)32)15-8-7-12(18(27)30)9-29(15)17/h3-9,11,15-17H,1-2H3,(H2,27,30)(H2,28,32)/t15-,16-,17+,21-/m0/s1