(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C)C(C)(C)C

InChI

InChI=1S/C24H28N2O3/c1-15-12-17(24(3,4)5)13-16(2)19(15)14-29-22(27)11-10-21-25-20-9-7-6-8-18(20)23(28)26-21/h6-9,12-13H,10-11,14H2,1-5H3,(H,25,26,28)