ethyl 4-[6-iodanyl-4-oxidanylidene-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]quinazolin-3-yl]benzoate

Systemtic Name: ethyl 4-[6-iodanyl-4-oxidanylidene-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[6-iodo-2-[(E)-2-(4-isopropylphenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[6-iodo-4-oxo-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-iodo-4-oxo-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]quinazolin-3-yl]benzoate Traditional Name: 4-[6-iodo-4-keto-2-[(E)-2-p-cumenylvinyl]quinazolin-3-yl]benzoic acid ethyl ester Formula: C28H25IN2O3 MolecularWeight: 564.41417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C28H25IN2O3/c1-4-34-28(33)21-10-13-23(14-11-21)31-26(16-7-19-5-8-20(9-6-19)18(2)3)30-25-15-12-22(29)17-24(25)27(31)32/h5-18H,4H2,1-3H3/b16-7+