methyl 2-ethanoyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylate

Systemtic Name: methyl 2-ethanoyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylate Openeye Name: methyl 2-acetyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylate CAS Name: 2-acetyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-acetyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylate Traditional Name: 2-acetyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylic acid methyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=C(C1)CC(CC2)C(=O)OC

Isomeric SMILES

CC(=O)N1CC2=C(C1)CC(CC2)C(=O)OC

InChI

InChI=1S/C12H17NO3/c1-8(14)13-6-10-4-3-9(12(15)16-2)5-11(10)7-13/h9H,3-7H2,1-2H3