O1-tert-butyl O3-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl] (3R)-piperidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl] (3R)-piperidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methyl] (3R)-piperidine-1,3-dicarboxylate CAS Name: (3R)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methyl] ester IUPAC Name: 1-O-tert-butyl 3-O-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methyl] (3R)-piperidine-1,3-dicarboxylate Traditional Name: (3R)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[(6-chloro-4-keto-1H-quinazolin-2-yl)methyl] ester Formula: C20H24ClN3O5 MolecularWeight: 421.87466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C20H24ClN3O5/c1-20(2,3)29-19(27)24-8-4-5-12(10-24)18(26)28-11-16-22-15-7-6-13(21)9-14(15)17(25)23-16/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,22,23,25)/t12-/m1/s1