[4-[(2-fluoranyl-4-methyl-5-phenylmethoxy-phenyl)amino]-6-methoxy-quinazolin-7-yl] ethanoate

Systemtic Name: [4-[(2-fluoranyl-4-methyl-5-phenylmethoxy-phenyl)amino]-6-methoxy-quinazolin-7-yl] ethanoate Openeye Name: [4-(5-benzyloxy-2-fluoro-4-methyl-anilino)-6-methoxy-quinazolin-7-yl] acetate CAS Name: acetic acid [4-(2-fluoro-4-methyl-5-phenylmethoxyanilino)-6-methoxy-7-quinazolinyl] ester IUPAC Name: [4-(2-fluoro-4-methyl-5-phenylmethoxyanilino)-6-methoxyquinazolin-7-yl] acetate Traditional Name: acetic acid [4-(5-benzoxy-2-fluoro-4-methyl-anilino)-6-methoxy-quinazolin-7-yl] ester Formula: C25H22FN3O4 MolecularWeight: 447.458283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC2=CC=CC=C2)NC3=NC=NC4=CC(=C(C=C43)OC)OC(=O)C)F

Isomeric SMILES

CC1=CC(=C(C=C1OCC2=CC=CC=C2)NC3=NC=NC4=CC(=C(C=C43)OC)OC(=O)C)F

InChI

InChI=1S/C25H22FN3O4/c1-15-9-19(26)21(12-22(15)32-13-17-7-5-4-6-8-17)29-25-18-10-23(31-3)24(33-16(2)30)11-20(18)27-14-28-25/h4-12,14H,13H2,1-3H3,(H,27,28,29)