ethyl (2S,3aR)-1-(phenylcarbonyl)-2,3,3a,4,5,7a-hexahydroindole-2-carboxylate

Systemtic Name: ethyl (2S,3aR)-1-(phenylcarbonyl)-2,3,3a,4,5,7a-hexahydroindole-2-carboxylate Openeye Name: ethyl (2S,3aR)-1-benzoyl-2,3,3a,4,5,7a-hexahydroindole-2-carboxylate CAS Name: (2S,3aR)-1-benzoyl-2,3,3a,4,5,7a-hexahydroindole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3aR)-1-benzoyl-2,3,3a,4,5,7a-hexahydroindole-2-carboxylate Traditional Name: (2S,3aR)-1-benzoyl-2,3,3a,4,5,7a-hexahydroindole-2-carboxylic acid ethyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2CCC=CC2N1C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@H]2CCC=CC2N1C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21NO3/c1-2-22-18(21)16-12-14-10-6-7-11-15(14)19(16)17(20)13-8-4-3-5-9-13/h3-5,7-9,11,14-16H,2,6,10,12H2,1H3/t14-,15?,16+/m1/s1