[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-5-(oxan-4-yloxy)quinazolin-7-yl] ethanoate

Systemtic Name: [4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-5-(oxan-4-yloxy)quinazolin-7-yl] ethanoate Openeye Name: [4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-5-tetrahydropyran-4-yloxy-quinazolin-7-yl] acetate CAS Name: acetic acid [4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-5-(4-oxanyloxy)-7-quinazolinyl] ester IUPAC Name: [4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-5-(oxan-4-yloxy)quinazolin-7-yl] acetate Traditional Name: acetic acid [4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-5-tetrahydropyran-4-yloxy-quinazolin-7-yl] ester Formula: C22H20ClN3O6 MolecularWeight: 457.8637

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C2C(=C1)N=CN=C2NC3=C(C=CC4=C3OCO4)Cl)OC5CCOCC5

Isomeric SMILES

CC(=O)OC1=CC(=C2C(=C1)N=CN=C2NC3=C(C=CC4=C3OCO4)Cl)OC5CCOCC5

InChI

InChI=1S/C22H20ClN3O6/c1-12(27)31-14-8-16-19(18(9-14)32-13-4-6-28-7-5-13)22(25-10-24-16)26-20-15(23)2-3-17-21(20)30-11-29-17/h2-3,8-10,13H,4-7,11H2,1H3,(H,24,25,26)