3-[6,7-bis(2,2-dimethylpropanoyloxy)-4-methyl-2-oxidanylidene-quinazolin-1-yl]propanoic acid

Systemtic Name: 3-[6,7-bis(2,2-dimethylpropanoyloxy)-4-methyl-2-oxidanylidene-quinazolin-1-yl]propanoic acid Openeye Name: 3-[6,7-bis(2,2-dimethylpropanoyloxy)-4-methyl-2-oxo-quinazolin-1-yl]propanoic acid CAS Name: 3-[6,7-bis(2,2-dimethyl-1-oxopropoxy)-4-methyl-2-oxo-1-quinazolinyl]propanoic acid IUPAC Name: 3-[6,7-bis(2,2-dimethylpropanoyloxy)-4-methyl-2-oxoquinazolin-1-yl]propanoic acid Traditional Name: 3-(2-keto-4-methyl-6,7-dipivaloyloxy-quinazolin-1-yl)propionic acid Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(C2=CC(=C(C=C12)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)CCC(=O)O

Isomeric SMILES

CC1=NC(=O)N(C2=CC(=C(C=C12)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)CCC(=O)O

InChI

InChI=1S/C22H28N2O7/c1-12-13-10-15(30-18(27)21(2,3)4)16(31-19(28)22(5,6)7)11-14(13)24(20(29)23-12)9-8-17(25)26/h10-11H,8-9H2,1-7H3,(H,25,26)