[6-[(2-aminocarbonylphenyl)methyl]-4-oxidanylidene-quinazolin-3-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [6-[(2-aminocarbonylphenyl)methyl]-4-oxidanylidene-quinazolin-3-yl]methyl 2,2-dimethylpropanoate Openeye Name: [6-[(2-carbamoylphenyl)methyl]-4-oxo-quinazolin-3-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-[(2-carbamoylphenyl)methyl]-4-oxo-3-quinazolinyl]methyl ester IUPAC Name: [6-[(2-carbamoylphenyl)methyl]-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [6-(2-carbamoylbenzyl)-4-keto-quinazolin-3-yl]methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=NC2=C(C1=O)C=C(C=C2)CC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=NC2=C(C1=O)C=C(C=C2)CC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C22H23N3O4/c1-22(2,3)21(28)29-13-25-12-24-18-9-8-14(11-17(18)20(25)27)10-15-6-4-5-7-16(15)19(23)26/h4-9,11-12H,10,13H2,1-3H3,(H2,23,26)