tert-butyl 4-[1-[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]ethylamino]benzoate

Systemtic Name: tert-butyl 4-[1-[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]ethylamino]benzoate Openeye Name: tert-butyl 4-[1-[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxo-quinazolin-6-yl]ethylamino]benzoate CAS Name: 4-[1-[3-[(2,2-dimethyl-1-oxopropoxy)methyl]-2,7-dimethyl-4-oxo-6-quinazolinyl]ethylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxoquinazolin-6-yl]ethylamino]benzoate Traditional Name: 4-[1-[4-keto-2,7-dimethyl-3-(pivaloyloxymethyl)quinazolin-6-yl]ethylamino]benzoic acid tert-butyl ester Formula: C29H37N3O5 MolecularWeight: 507.62118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)N=C(N(C2=O)COC(=O)C(C)(C)C)C)C(C)NC3=CC=C(C=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)N=C(N(C2=O)COC(=O)C(C)(C)C)C)C(C)NC3=CC=C(C=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H37N3O5/c1-17-14-24-23(25(33)32(19(3)31-24)16-36-27(35)28(4,5)6)15-22(17)18(2)30-21-12-10-20(11-13-21)26(34)37-29(7,8)9/h10-15,18,30H,16H2,1-9H3