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

Systemtic Name: methyl (1R,2S,3R,8aR)-1-aminocarbonyl-2-(4-bromophenyl)-1-cyano-3-ethanoyl-3,8a-dihydro-2H-indolizine-6-carboxylate Openeye Name: methyl (1R,2S,3R,8aR)-3-acetyl-2-(4-bromophenyl)-1-carbamoyl-1-cyano-3,8a-dihydro-2H-indolizine-6-carboxylate CAS Name: (1R,2S,3R,8aR)-3-acetyl-2-(4-bromophenyl)-1-carbamoyl-1-cyano-3,8a-dihydro-2H-indolizine-6-carboxylic acid methyl ester IUPAC Name: methyl (1R,2S,3R,8aR)-3-acetyl-2-(4-bromophenyl)-1-carbamoyl-1-cyano-3,8a-dihydro-2H-indolizine-6-carboxylate Traditional Name: (1R,2S,3R,8aR)-3-acetyl-2-(4-bromophenyl)-1-carbamoyl-1-cyano-3,8a-dihydro-2H-indolizine-6-carboxylic acid methyl ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O4/c1-11(25)17-16(12-3-6-14(21)7-4-12)20(10-22,19(23)27)15-8-5-13(9-24(15)17)18(26)28-2/h3-9,15-17H,1-2H3,(H2,23,27)/t15-,16-,17+,20+/m1/s1