[4-[(3-ethynyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl] ethanoate

Systemtic Name: [4-[(3-ethynyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl] ethanoate Openeye Name: [4-(3-ethynyl-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl] acetate CAS Name: acetic acid [4-(3-ethynyl-4-fluoroanilino)-7-methoxy-6-quinazolinyl] ester IUPAC Name: [4-(3-ethynyl-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate Traditional Name: acetic acid [4-(3-ethynyl-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl] ester Formula: C19H14FN3O3 MolecularWeight: 351.331163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)C#C)OC

Isomeric SMILES

CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)C#C)OC

InChI

InChI=1S/C19H14FN3O3/c1-4-12-7-13(5-6-15(12)20)23-19-14-8-18(26-11(2)24)17(25-3)9-16(14)21-10-22-19/h1,5-10H,2-3H3,(H,21,22,23)