O2-tert-butyl O1-methyl (1R)-6-[(2-fluoranyl-6-nitro-phenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-methyl (1R)-6-[(2-fluoranyl-6-nitro-phenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-methyl (1R)-6-[(2-fluoro-6-nitro-phenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: (1R)-6-[(2-fluoro-6-nitrophenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester IUPAC Name: 2-O-tert-butyl 1-O-methyl (1R)-6-[(2-fluoro-6-nitrophenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: (1R)-6-(2-fluoro-6-nitro-benzyl)oxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester Formula: C23H25FN2O7 MolecularWeight: 460.452203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)OC)C=CC(=C2)OCC3=C(C=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C([C@@H]1C(=O)OC)C=CC(=C2)OCC3=C(C=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C23H25FN2O7/c1-23(2,3)33-22(28)25-11-10-14-12-15(8-9-16(14)20(25)21(27)31-4)32-13-17-18(24)6-5-7-19(17)26(29)30/h5-9,12,20H,10-11,13H2,1-4H3/t20-/m1/s1