4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]methyl-methyl-amino]benzoic acid

Systemtic Name: 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]methyl-methyl-amino]benzoic acid Openeye Name: 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxo-quinazolin-6-yl]methyl-methyl-amino]benzoic acid CAS Name: 4-[[3-[(2,2-dimethyl-1-oxopropoxy)methyl]-2,7-dimethyl-4-oxo-6-quinazolinyl]methyl-methylamino]benzoic acid IUPAC Name: 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxoquinazolin-6-yl]methyl-methylamino]benzoic acid Traditional Name: 4-[[4-keto-2,7-dimethyl-3-(pivaloyloxymethyl)quinazolin-6-yl]methyl-methyl-amino]benzoic acid Formula: C25H29N3O5 MolecularWeight: 451.51486

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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)CN(C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5/c1-15-11-21-20(22(29)28(16(2)26-21)14-33-24(32)25(3,4)5)12-18(15)13-27(6)19-9-7-17(8-10-19)23(30)31/h7-12H,13-14H2,1-6H3,(H,30,31)