tert-butyl (8R,8aR)-8-nitro-5-phenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (8R,8aR)-8-nitro-5-phenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (8R,8aR)-8-nitro-5-phenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-2-carboxylate CAS Name: (8R,8aR)-8-nitro-5-phenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (8R,8aR)-8-nitro-5-phenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-2-carboxylate Traditional Name: (8R,8aR)-8-nitro-5-phenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CCC(C2C1)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC[C@H]([C@H]2C1)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4/c1-20(2,3)26-19(23)21-12-11-16-15(14-7-5-4-6-8-14)9-10-18(22(24)25)17(16)13-21/h4-8,17-18H,9-13H2,1-3H3/t17-,18+/m0/s1