tert-butyl (2R,3S)-3-(methoxymethoxy)-2-[2-(4-oxidanylidenequinazolin-3-yl)ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2R,3S)-3-(methoxymethoxy)-2-[2-(4-oxidanylidenequinazolin-3-yl)ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl (2R,3S)-3-(methoxymethoxy)-2-[2-(4-oxoquinazolin-3-yl)ethyl]piperidine-1-carboxylate CAS Name: (2R,3S)-3-(methoxymethoxy)-2-[2-(4-oxo-3-quinazolinyl)ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S)-3-(methoxymethoxy)-2-[2-(4-oxoquinazolin-3-yl)ethyl]piperidine-1-carboxylate Traditional Name: (2R,3S)-2-[2-(4-ketoquinazolin-3-yl)ethyl]-3-(methoxymethoxy)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1CCN2C=NC3=CC=CC=C3C2=O)OCOC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]1CCN2C=NC3=CC=CC=C3C2=O)OCOC

InChI

InChI=1S/C22H31N3O5/c1-22(2,3)30-21(27)25-12-7-10-19(29-15-28-4)18(25)11-13-24-14-23-17-9-6-5-8-16(17)20(24)26/h5-6,8-9,14,18-19H,7,10-13,15H2,1-4H3/t18-,19+/m1/s1