1-[6-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxy-3,5-bis(oxidanyl)hexanoyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[6-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxy-3,5-bis(oxidanyl)hexanoyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[6-[4-(4-bromo-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxy-3,5-dihydroxy-hexanoyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[6-[[4-(4-bromo-2-fluoroanilino)-6-methoxy-7-quinazolinyl]oxy]-3,5-dihydroxy-1-oxohexyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[6-[4-(4-bromo-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxy-3,5-dihydroxy-hexanoyl]pyrrolidine-3-carboxylic acid Formula: C26H28BrFN4O7 MolecularWeight: 607.425523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC(CC(CC(=O)N4CCC(C4)C(=O)O)O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC(CC(CC(=O)N4CCC(C4)C(=O)O)O)O

InChI

InChI=1S/C26H28BrFN4O7/c1-38-22-9-18-21(29-13-30-25(18)31-20-3-2-15(27)6-19(20)28)10-23(22)39-12-17(34)7-16(33)8-24(35)32-5-4-14(11-32)26(36)37/h2-3,6,9-10,13-14,16-17,33-34H,4-5,7-8,11-12H2,1H3,(H,36,37)(H,29,30,31)