[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl] (2S)-1-methylpyrrolidine-2-carboxylate

Systemtic Name: [4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl] (2S)-1-methylpyrrolidine-2-carboxylate Openeye Name: [4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl] (2S)-1-methylpyrrolidine-2-carboxylate CAS Name: (2S)-1-methyl-2-pyrrolidinecarboxylic acid [4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl] ester IUPAC Name: [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] (2S)-1-methylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-methylpyrrolidine-2-carboxylic acid [4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl] ester Formula: C21H20ClFN4O3 MolecularWeight: 430.859903

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC

Isomeric SMILES

CN1CCC[C@H]1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC

InChI

InChI=1S/C21H20ClFN4O3/c1-27-8-4-7-16(27)21(28)30-18-9-12-15(10-17(18)29-2)24-11-25-20(12)26-14-6-3-5-13(22)19(14)23/h3,5-6,9-11,16H,4,7-8H2,1-2H3,(H,24,25,26)/t16-/m0/s1