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

Systemtic Name: methyl (1S,2R,3R,8aR)-3-aminocarbonyl-1-cyano-6-ethanoyl-2-(4-methoxycarbonylphenyl)-3,8a-dihydro-2H-indolizine-1-carboxylate Openeye Name: methyl (1S,2R,3R,8aR)-6-acetyl-3-carbamoyl-1-cyano-2-(4-methoxycarbonylphenyl)-3,8a-dihydro-2H-indolizine-1-carboxylate CAS Name: (1S,2R,3R,8aR)-6-acetyl-3-carbamoyl-1-cyano-2-(4-methoxycarbonylphenyl)-3,8a-dihydro-2H-indolizine-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,2R,3R,8aR)-6-acetyl-3-carbamoyl-1-cyano-2-(4-methoxycarbonylphenyl)-3,8a-dihydro-2H-indolizine-1-carboxylate Traditional Name: (1S,2R,3R,8aR)-6-acetyl-3-carbamoyl-2-(4-carbomethoxyphenyl)-1-cyano-3,8a-dihydro-2H-indolizine-1-carboxylic acid methyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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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)C(=O)OC)(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)C(=O)OC)(C#N)C(=O)OC

InChI

InChI=1S/C22H21N3O6/c1-12(26)15-8-9-16-22(11-23,21(29)31-3)17(18(19(24)27)25(16)10-15)13-4-6-14(7-5-13)20(28)30-2/h4-10,16-18H,1-3H3,(H2,24,27)/t16-,17+,18-,22-/m1/s1