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

Systemtic Name: ethyl (1R,2R,3R,8aS)-3-aminocarbonyl-2-(4-butoxyphenyl)-1-cyano-6-ethanoyl-3,8a-dihydro-2H-indolizine-1-carboxylate Openeye Name: ethyl (1R,2R,3R,8aS)-6-acetyl-2-(4-butoxyphenyl)-3-carbamoyl-1-cyano-3,8a-dihydro-2H-indolizine-1-carboxylate CAS Name: (1R,2R,3R,8aS)-6-acetyl-2-(4-butoxyphenyl)-3-carbamoyl-1-cyano-3,8a-dihydro-2H-indolizine-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,2R,3R,8aS)-6-acetyl-2-(4-butoxyphenyl)-3-carbamoyl-1-cyano-3,8a-dihydro-2H-indolizine-1-carboxylate Traditional Name: (1R,2R,3R,8aS)-6-acetyl-2-(4-butoxyphenyl)-3-carbamoyl-1-cyano-3,8a-dihydro-2H-indolizine-1-carboxylic acid ethyl ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(N3C=C(C=CC3C2(C#N)C(=O)OCC)C(=O)C)C(=O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H]2[C@@H](N3C=C(C=C[C@H]3[C@]2(C#N)C(=O)OCC)C(=O)C)C(=O)N

InChI

InChI=1S/C25H29N3O5/c1-4-6-13-33-19-10-7-17(8-11-19)21-22(23(27)30)28-14-18(16(3)29)9-12-20(28)25(21,15-26)24(31)32-5-2/h7-12,14,20-22H,4-6,13H2,1-3H3,(H2,27,30)/t20-,21-,22+,25-/m0/s1