O2-tert-butyl O3-methyl (3S)-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O2-tert-butyl O3-methyl (3S)-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O2-tert-butyl O3-methyl (3S)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: (3S)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O2-tert-butyl ester O3-methyl ester IUPAC Name: 2-O-tert-butyl 3-O-methyl (3S)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: (3S)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O2-tert-butyl ester O3-methyl ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)OC)C=CC(=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C[C@H]1C(=O)OC)C=CC(=C2)O

InChI

InChI=1S/C16H21NO5/c1-16(2,3)22-15(20)17-9-11-7-12(18)6-5-10(11)8-13(17)14(19)21-4/h5-7,13,18H,8-9H2,1-4H3/t13-/m0/s1