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

Systemtic Name: O1-tert-butyl O3-[[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl] piperidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-[[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]methyl] piperidine-1,3-dicarboxylate CAS Name: piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]methyl] ester IUPAC Name: 1-O-tert-butyl 3-O-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl] piperidine-1,3-dicarboxylate Traditional Name: piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]methyl] ester Formula: C26H28FN3O5 MolecularWeight: 481.516023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C26H28FN3O5/c1-26(2,3)35-25(33)29-14-6-7-17(15-29)24(32)34-16-22-28-21-9-5-4-8-20(21)23(31)30(22)19-12-10-18(27)11-13-19/h4-5,8-13,17H,6-7,14-16H2,1-3H3