ethyl (1R,2S,3R,8aR)-6-aminocarbonyl-2-(4-chlorophenyl)-1-cyano-1-ethanoyl-3,8a-dihydro-2H-indolizine-3-carboxylate

Systemtic Name: ethyl (1R,2S,3R,8aR)-6-aminocarbonyl-2-(4-chlorophenyl)-1-cyano-1-ethanoyl-3,8a-dihydro-2H-indolizine-3-carboxylate Openeye Name: ethyl (1R,2S,3R,8aR)-1-acetyl-6-carbamoyl-2-(4-chlorophenyl)-1-cyano-3,8a-dihydro-2H-indolizine-3-carboxylate CAS Name: (1R,2S,3R,8aR)-1-acetyl-6-carbamoyl-2-(4-chlorophenyl)-1-cyano-3,8a-dihydro-2H-indolizine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S,3R,8aR)-1-acetyl-6-carbamoyl-2-(4-chlorophenyl)-1-cyano-3,8a-dihydro-2H-indolizine-3-carboxylate Traditional Name: (1R,2S,3R,8aR)-1-acetyl-6-carbamoyl-2-(4-chlorophenyl)-1-cyano-3,8a-dihydro-2H-indolizine-3-carboxylic acid ethyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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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)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4/c1-3-29-20(28)18-17(13-4-7-15(22)8-5-13)21(11-23,12(2)26)16-9-6-14(19(24)27)10-25(16)18/h4-10,16-18H,3H2,1-2H3,(H2,24,27)/t16-,17-,18-,21+/m1/s1