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

Systemtic Name: 4-[5-bromanyl-1-[4-(4-ethoxycarbonylpiperidin-1-yl)-6-(furan-2-yl)quinazolin-2-yl]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-bromo-1-[4-(4-ethoxycarbonyl-1-piperidyl)-6-(2-furyl)quinazolin-2-yl]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-bromo-1-[4-(4-ethoxycarbonyl-1-piperidinyl)-6-(2-furanyl)-2-quinazolinyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-bromo-1-[4-(4-ethoxycarbonylpiperidin-1-yl)-6-(furan-2-yl)quinazolin-2-yl]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-bromo-1-[4-(4-carbethoxypiperidino)-6-(2-furyl)quinazolin-2-yl]indol-3-yl]-4-keto-butyric acid Formula: C32H29BrN4O6 MolecularWeight: 645.49986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2C=C(C=C3)C4=CC=CO4)N5C=C(C6=C5C=CC(=C6)Br)C(=O)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)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/C32H29BrN4O6/c1-2-42-31(41)19-11-13-36(14-12-19)30-23-16-20(28-4-3-15-43-28)5-7-25(23)34-32(35-30)37-18-24(27(38)9-10-29(39)40)22-17-21(33)6-8-26(22)37/h3-8,15-19H,2,9-14H2,1H3,(H,39,40)