1-[(2S)-2-[[4-[[3-chloranyl-4-[(2-fluorophenyl)methoxy]phenyl]amino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-oxidanyl-ethanone

Systemtic Name: 1-[(2S)-2-[[4-[[3-chloranyl-4-[(2-fluorophenyl)methoxy]phenyl]amino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-oxidanyl-ethanone Openeye Name: 1-[(2S)-2-[[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-hydroxy-ethanone CAS Name: 1-[(2S)-2-[[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]-5-quinazolinyl]oxymethyl]-1-pyrrolidinyl]-2-hydroxyethanone IUPAC Name: 1-[(2S)-2-[[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-hydroxyethanone Traditional Name: 1-[(2S)-2-[[4-[3-chloro-4-(2-fluorobenzyl)oxy-anilino]quinazolin-5-yl]oxymethyl]pyrrolidino]-2-hydroxy-ethanone Formula: C28H26ClFN4O4 MolecularWeight: 536.981843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CO)COC2=CC=CC3=C2C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC=CC=C5F)Cl

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CO)COC2=CC=CC3=C2C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC=CC=C5F)Cl

InChI

InChI=1S/C28H26ClFN4O4/c29-21-13-19(10-11-24(21)37-15-18-5-1-2-7-22(18)30)33-28-27-23(31-17-32-28)8-3-9-25(27)38-16-20-6-4-12-34(20)26(36)14-35/h1-3,5,7-11,13,17,20,35H,4,6,12,14-16H2,(H,31,32,33)/t20-/m0/s1