O2-tert-butyl O1-ethyl 6-oxidanyl-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-ethyl 6-oxidanyl-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-ethyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: 6-hydroxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-ethyl ester IUPAC Name: 2-O-tert-butyl 1-O-ethyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: 6-hydroxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-ethyl ester Formula: C17H23NO5 MolecularWeight: 321.36822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=C(CCN1C(=O)OC(C)(C)C)C=C(C=C2)O

Isomeric SMILES

CCOC(=O)C1C2=C(CCN1C(=O)OC(C)(C)C)C=C(C=C2)O

InChI

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