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

Systemtic Name: O2-tert-butyl O1-methyl (1R)-6-[(3-nitrophenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-methyl (1R)-6-[(3-nitrophenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: (1R)-6-[(3-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-[(3-nitrophenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: (1R)-6-(3-nitrobenzyl)oxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester Formula: C23H26N2O7 MolecularWeight: 442.46174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)OC)C=CC(=C2)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C([C@@H]1C(=O)OC)C=CC(=C2)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O7/c1-23(2,3)32-22(27)24-11-10-16-13-18(8-9-19(16)20(24)21(26)30-4)31-14-15-6-5-7-17(12-15)25(28)29/h5-9,12-13,20H,10-11,14H2,1-4H3/t20-/m1/s1