tert-butyl 3-[2-oxidanylidene-3-(4-oxidanylidenequinazolin-3-yl)propoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-oxidanylidene-3-(4-oxidanylidenequinazolin-3-yl)propoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[2-oxo-3-(4-oxoquinazolin-3-yl)propoxy]piperidine-1-carboxylate CAS Name: 3-[2-oxo-3-(4-oxo-3-quinazolinyl)propoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-oxo-3-(4-oxoquinazolin-3-yl)propoxy]piperidine-1-carboxylate Traditional Name: 3-[2-keto-3-(4-ketoquinazolin-3-yl)propoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)OCC(=O)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)OCC(=O)CN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H27N3O5/c1-21(2,3)29-20(27)23-10-6-7-16(12-23)28-13-15(25)11-24-14-22-18-9-5-4-8-17(18)19(24)26/h4-5,8-9,14,16H,6-7,10-13H2,1-3H3