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

Systemtic Name: methyl (1S,2S,3R,8aR)-3-aminocarbonyl-1-cyano-6-ethanoyl-2-(4-fluorophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylate Openeye Name: methyl (1S,2S,3R,8aR)-6-acetyl-3-carbamoyl-1-cyano-2-(4-fluorophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylate CAS Name: (1S,2S,3R,8aR)-6-acetyl-3-carbamoyl-1-cyano-2-(4-fluorophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,2S,3R,8aR)-6-acetyl-3-carbamoyl-1-cyano-2-(4-fluorophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylate Traditional Name: (1S,2S,3R,8aR)-6-acetyl-3-carbamoyl-1-cyano-2-(4-fluorophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylic acid methyl ester Formula: C20H18FN3O4 MolecularWeight: 383.373023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O4/c1-11(25)13-5-8-15-20(10-22,19(27)28-2)16(12-3-6-14(21)7-4-12)17(18(23)26)24(15)9-13/h3-9,15-17H,1-2H3,(H2,23,26)/t15-,16-,17-,20-/m1/s1