[6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazolin-2-yl]methyl 3-(4-methoxyphenyl)propanoate

Systemtic Name: [6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazolin-2-yl]methyl 3-(4-methoxyphenyl)propanoate Openeye Name: (6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid (6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid (6,8-dibromo-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C19H16Br2N2O4 MolecularWeight: 496.14934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)OCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)OCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

InChI

InChI=1S/C19H16Br2N2O4/c1-26-13-5-2-11(3-6-13)4-7-17(24)27-10-16-22-18-14(19(25)23-16)8-12(20)9-15(18)21/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,22,23,25)