O1-tert-butyl O3a-methyl (3aS,5R,6S)-5-oxidanyl-6-phenylmethoxy-3,4,5,6-tetrahydro-2H-indole-1,3a-dicarboxylate

Systemtic Name: O1-tert-butyl O3a-methyl (3aS,5R,6S)-5-oxidanyl-6-phenylmethoxy-3,4,5,6-tetrahydro-2H-indole-1,3a-dicarboxylate Openeye Name: O1-tert-butyl O3a-methyl (3aS,5R,6S)-6-benzyloxy-5-hydroxy-3,4,5,6-tetrahydro-2H-indole-1,3a-dicarboxylate CAS Name: (3aS,5R,6S)-5-hydroxy-6-phenylmethoxy-3,4,5,6-tetrahydro-2H-indole-1,3a-dicarboxylic acid O1-tert-butyl ester O3a-methyl ester IUPAC Name: 1-O-tert-butyl 3a-O-methyl (3aS,5R,6S)-5-hydroxy-6-phenylmethoxy-3,4,5,6-tetrahydro-2H-indole-1,3a-dicarboxylate Traditional Name: (3aS,5R,6S)-6-benzoxy-5-hydroxy-3,4,5,6-tetrahydro-2H-indole-1,3a-dicarboxylic acid O1-tert-butyl ester O3a-methyl ester Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(C1=CC(C(C2)O)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@]2(C1=C[C@@H]([C@@H](C2)O)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H29NO6/c1-21(2,3)29-20(26)23-11-10-22(19(25)27-4)13-16(24)17(12-18(22)23)28-14-15-8-6-5-7-9-15/h5-9,12,16-17,24H,10-11,13-14H2,1-4H3/t16-,17+,22+/m1/s1