tert-butyl (2S,3R)-3-acetyloxy-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3R)-3-acetyloxy-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidine-1-carboxylate Openeye Name: tert-butyl (2S,3R)-3-acetoxy-2-[3-(7-bromo-6-chloro-4-oxo-quinazolin-3-yl)-2-oxo-propyl]piperidine-1-carboxylate CAS Name: (2S,3R)-3-acetyloxy-2-[3-(7-bromo-6-chloro-4-oxo-3-quinazolinyl)-2-oxopropyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-3-acetyloxy-2-[3-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-2-oxopropyl]piperidine-1-carboxylate Traditional Name: (2S,3R)-3-acetoxy-2-[3-(7-bromo-6-chloro-4-keto-quinazolin-3-yl)-2-keto-propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H27BrClN3O6 MolecularWeight: 556.83398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCN(C1CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)O[C@@H]1CCCN([C@H]1CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H27BrClN3O6/c1-13(29)33-20-6-5-7-28(22(32)34-23(2,3)4)19(20)8-14(30)11-27-12-26-18-10-16(24)17(25)9-15(18)21(27)31/h9-10,12,19-20H,5-8,11H2,1-4H3/t19-,20+/m0/s1