3-[2-[(2-methylphenoxy)methyl]-4-oxidanylidene-quinazolin-3-yl]propyl 2,2,2-tris(chloranyl)ethanoate

Systemtic Name: 3-[2-[(2-methylphenoxy)methyl]-4-oxidanylidene-quinazolin-3-yl]propyl 2,2,2-tris(chloranyl)ethanoate Openeye Name: 3-[2-[(2-methylphenoxy)methyl]-4-oxo-quinazolin-3-yl]propyl 2,2,2-trichloroacetate CAS Name: 2,2,2-trichloroacetic acid 3-[2-[(2-methylphenoxy)methyl]-4-oxo-3-quinazolinyl]propyl ester IUPAC Name: 3-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]propyl 2,2,2-trichloroacetate Traditional Name: 2,2,2-trichloroacetic acid 3-[4-keto-2-[(2-methylphenoxy)methyl]quinazolin-3-yl]propyl ester Formula: C21H19Cl3N2O4 MolecularWeight: 469.74556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NC3=CC=CC=C3C(=O)N2CCCOC(=O)C(Cl)(Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1OCC2=NC3=CC=CC=C3C(=O)N2CCCOC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C21H19Cl3N2O4/c1-14-7-2-5-10-17(14)30-13-18-25-16-9-4-3-8-15(16)19(27)26(18)11-6-12-29-20(28)21(22,23)24/h2-5,7-10H,6,11-13H2,1H3