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

Systemtic Name: [4-(1,3-benzodioxol-4-ylamino)-5-(oxan-4-yloxy)quinazolin-7-yl] ethanoate Openeye Name: [4-(1,3-benzodioxol-4-ylamino)-5-tetrahydropyran-4-yloxy-quinazolin-7-yl] acetate CAS Name: acetic acid [4-(1,3-benzodioxol-4-ylamino)-5-(4-oxanyloxy)-7-quinazolinyl] ester IUPAC Name: [4-(1,3-benzodioxol-4-ylamino)-5-(oxan-4-yloxy)quinazolin-7-yl] acetate Traditional Name: acetic acid [4-(1,3-benzodioxol-4-ylamino)-5-tetrahydropyran-4-yloxy-quinazolin-7-yl] ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C2C(=C1)N=CN=C2NC3=C4C(=CC=C3)OCO4)OC5CCOCC5

Isomeric SMILES

CC(=O)OC1=CC(=C2C(=C1)N=CN=C2NC3=C4C(=CC=C3)OCO4)OC5CCOCC5

InChI

InChI=1S/C22H21N3O6/c1-13(26)30-15-9-17-20(19(10-15)31-14-5-7-27-8-6-14)22(24-11-23-17)25-16-3-2-4-18-21(16)29-12-28-18/h2-4,9-11,14H,5-8,12H2,1H3,(H,23,24,25)