4-[5-bromanyl-1-[6-(furan-2-yl)-4-(4-methoxyphenyl)quinazolin-2-yl]indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-bromanyl-1-[6-(furan-2-yl)-4-(4-methoxyphenyl)quinazolin-2-yl]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-bromo-1-[6-(2-furyl)-4-(4-methoxyphenyl)quinazolin-2-yl]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-bromo-1-[6-(2-furanyl)-4-(4-methoxyphenyl)-2-quinazolinyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-bromo-1-[6-(furan-2-yl)-4-(4-methoxyphenyl)quinazolin-2-yl]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-bromo-1-[6-(2-furyl)-4-(4-methoxyphenyl)quinazolin-2-yl]indol-3-yl]-4-keto-butyric acid Formula: C31H22BrN3O5 MolecularWeight: 596.42748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)C4=CC=CO4)N5C=C(C6=C5C=CC(=C6)Br)C(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)C4=CC=CO4)N5C=C(C6=C5C=CC(=C6)Br)C(=O)CCC(=O)O

InChI

InChI=1S/C31H22BrN3O5/c1-39-21-8-4-18(5-9-21)30-23-15-19(28-3-2-14-40-28)6-10-25(23)33-31(34-30)35-17-24(27(36)12-13-29(37)38)22-16-20(32)7-11-26(22)35/h2-11,14-17H,12-13H2,1H3,(H,37,38)