methyl (3aR,7aR)-2-oxidanylidene-3a-phenyl-3,4,5,6,7,7a-hexahydroindole-1-carboxylate

Systemtic Name: methyl (3aR,7aR)-2-oxidanylidene-3a-phenyl-3,4,5,6,7,7a-hexahydroindole-1-carboxylate Openeye Name: methyl (3aR,7aR)-2-oxo-3a-phenyl-3,4,5,6,7,7a-hexahydroindole-1-carboxylate CAS Name: (3aR,7aR)-2-oxo-3a-phenyl-3,4,5,6,7,7a-hexahydroindole-1-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aR)-2-oxo-3a-phenyl-3,4,5,6,7,7a-hexahydroindole-1-carboxylate Traditional Name: (3aR,7aR)-2-keto-3a-phenyl-3,4,5,6,7,7a-hexahydroindole-1-carboxylic acid methyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2CCCCC2(CC1=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)N1[C@@H]2CCCC[C@@]2(CC1=O)C3=CC=CC=C3

InChI

InChI=1S/C16H19NO3/c1-20-15(19)17-13-9-5-6-10-16(13,11-14(17)18)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3/t13-,16-/m1/s1