tert-butyl (3aR,5S)-6-methoxy-3a,5-dimethyl-5-oxidanyl-2,3,4,6-tetrahydroindole-1-carboxylate

Systemtic Name: tert-butyl (3aR,5S)-6-methoxy-3a,5-dimethyl-5-oxidanyl-2,3,4,6-tetrahydroindole-1-carboxylate Openeye Name: tert-butyl (3aR,5S)-5-hydroxy-6-methoxy-3a,5-dimethyl-2,3,4,6-tetrahydroindole-1-carboxylate CAS Name: (3aR,5S)-5-hydroxy-6-methoxy-3a,5-dimethyl-2,3,4,6-tetrahydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,5S)-5-hydroxy-6-methoxy-3a,5-dimethyl-2,3,4,6-tetrahydroindole-1-carboxylate Traditional Name: (3aR,5S)-5-hydroxy-6-methoxy-3a,5-dimethyl-2,3,4,6-tetrahydroindole-1-carboxylic acid tert-butyl ester Formula: C16H27NO4 MolecularWeight: 297.38988

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCN(C1=CC(C(C2)(C)O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@]12CCN(C1=CC([C@@](C2)(C)O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H27NO4/c1-14(2,3)21-13(18)17-8-7-15(4)10-16(5,19)12(20-6)9-11(15)17/h9,12,19H,7-8,10H2,1-6H3/t12?,15-,16+/m1/s1