O2-tert-butyl O3,O3'-diethyl (2S,4R)-6-bromanyl-4-oxidanyl-2,4-dihydro-1H-quinoline-2,3,3-tricarboxylate

Systemtic Name: O2-tert-butyl O3,O3'-diethyl (2S,4R)-6-bromanyl-4-oxidanyl-2,4-dihydro-1H-quinoline-2,3,3-tricarboxylate Openeye Name: O2-tert-butyl O3,O3'-diethyl (2S,4R)-6-bromo-4-hydroxy-2,4-dihydro-1H-quinoline-2,3,3-tricarboxylate CAS Name: (2S,4R)-6-bromo-4-hydroxy-2,4-dihydro-1H-quinoline-2,3,3-tricarboxylic acid O2-tert-butyl ester O3,O3'-diethyl ester IUPAC Name: 2-O-tert-butyl 3-O,3-O'-diethyl (2S,4R)-6-bromo-4-hydroxy-2,4-dihydro-1H-quinoline-2,3,3-tricarboxylate Traditional Name: (2S,4R)-6-bromo-4-hydroxy-2,4-dihydro-1H-quinoline-2,3,3-tricarboxylic acid O2-tert-butyl ester O3,O3'-diethyl ester Formula: C20H26BrNO7 MolecularWeight: 472.32694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C2=C(C=CC(=C2)Br)NC1C(=O)OC(C)(C)C)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1([C@@H](C2=C(C=CC(=C2)Br)N[C@@H]1C(=O)OC(C)(C)C)O)C(=O)OCC

InChI

InChI=1S/C20H26BrNO7/c1-6-27-17(25)20(18(26)28-7-2)14(16(24)29-19(3,4)5)22-13-9-8-11(21)10-12(13)15(20)23/h8-10,14-15,22-23H,6-7H2,1-5H3/t14-,15-/m1/s1