methyl (2S,5R,7aR)-5-acetyloxy-2,3,5,6,7,7a-hexahydro-1H-indole-2-carboxylate

Systemtic Name: methyl (2S,5R,7aR)-5-acetyloxy-2,3,5,6,7,7a-hexahydro-1H-indole-2-carboxylate Openeye Name: methyl (2S,5R,7aR)-5-acetoxy-2,3,5,6,7,7a-hexahydro-1H-indole-2-carboxylate CAS Name: (2S,5R,7aR)-5-acetyloxy-2,3,5,6,7,7a-hexahydro-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,5R,7aR)-5-acetyloxy-2,3,5,6,7,7a-hexahydro-1H-indole-2-carboxylate Traditional Name: (2S,5R,7aR)-5-acetoxy-2,3,5,6,7,7a-hexahydro-1H-indole-2-carboxylic acid methyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C(=C1)CC(N2)C(=O)OC

Isomeric SMILES

CC(=O)O[C@@H]1CC[C@@H]2C(=C1)C[C@H](N2)C(=O)OC

InChI

InChI=1S/C12H17NO4/c1-7(14)17-9-3-4-10-8(5-9)6-11(13-10)12(15)16-2/h5,9-11,13H,3-4,6H2,1-2H3/t9-,10-,11+/m1/s1