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

Systemtic Name: 4-[5-bromanyl-1-[4-(4-cyanophenyl)-6-(furan-2-yl)quinazolin-2-yl]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-bromo-1-[4-(4-cyanophenyl)-6-(2-furyl)quinazolin-2-yl]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-bromo-1-[4-(4-cyanophenyl)-6-(2-furanyl)-2-quinazolinyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-bromo-1-[4-(4-cyanophenyl)-6-(furan-2-yl)quinazolin-2-yl]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-bromo-1-[4-(4-cyanophenyl)-6-(2-furyl)quinazolin-2-yl]indol-3-yl]-4-keto-butyric acid Formula: C31H19BrN4O4 MolecularWeight: 591.41096

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=CC3=C(C=C2)N=C(N=C3C4=CC=C(C=C4)C#N)N5C=C(C6=C5C=CC(=C6)Br)C(=O)CCC(=O)O

Isomeric SMILES

C1=COC(=C1)C2=CC3=C(C=C2)N=C(N=C3C4=CC=C(C=C4)C#N)N5C=C(C6=C5C=CC(=C6)Br)C(=O)CCC(=O)O

InChI

InChI=1S/C31H19BrN4O4/c32-21-8-10-26-22(15-21)24(27(37)11-12-29(38)39)17-36(26)31-34-25-9-7-20(28-2-1-13-40-28)14-23(25)30(35-31)19-5-3-18(16-33)4-6-19/h1-10,13-15,17H,11-12H2,(H,38,39)