tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-6-methoxy-4-oxidanylidene-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-6-methoxy-4-oxidanylidene-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-6-methoxy-4-oxo-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[3-[(2,2-dimethyl-1-oxopropoxy)methyl]-6-methoxy-4-oxo-7-quinazolinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-6-methoxy-4-oxoquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[4-keto-6-methoxy-3-(pivaloyloxymethyl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H37N3O7 MolecularWeight: 503.58788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=NC2=CC(=C(C=C2C1=O)OC)OCC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=NC2=CC(=C(C=C2C1=O)OC)OCC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H37N3O7/c1-25(2,3)23(31)35-16-29-15-27-19-13-21(20(33-7)12-18(19)22(29)30)34-14-17-8-10-28(11-9-17)24(32)36-26(4,5)6/h12-13,15,17H,8-11,14,16H2,1-7H3