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

Systemtic Name: O2-tert-butyl O3-ethyl (3S)-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O2-tert-butyl O3-ethyl (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-ethyl ester IUPAC Name: 2-O-tert-butyl 3-O-ethyl (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-ethyl ester Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)O

Isomeric SMILES

CCOC(=O)[C@@H]1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)O

InChI

InChI=1S/C17H23NO5/c1-5-22-15(20)14-9-11-6-7-13(19)8-12(11)10-18(14)16(21)23-17(2,3)4/h6-8,14,19H,5,9-10H2,1-4H3/t14-/m0/s1