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

Systemtic Name: ethyl 7-[4-[(3-ethynyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxyheptanoate Openeye Name: ethyl 7-[4-(3-ethynyl-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxyheptanoate CAS Name: 7-[[4-(3-ethynyl-4-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[4-(3-ethynyl-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyheptanoate Traditional Name: 7-[4-(3-ethynyl-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxyenanthic acid ethyl ester Formula: C26H28FN3O4 MolecularWeight: 465.516623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)C#C)OC

Isomeric SMILES

CCOC(=O)CCCCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)C#C)OC

InChI

InChI=1S/C26H28FN3O4/c1-4-18-14-19(11-12-21(18)27)30-26-20-15-24(23(32-3)16-22(20)28-17-29-26)34-13-9-7-6-8-10-25(31)33-5-2/h1,11-12,14-17H,5-10,13H2,2-3H3,(H,28,29,30)