[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-(1-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-2-quinazolinyl)propanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(1-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-quinazolin-2-yl)propionic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N=C1CCC(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N=C1CCC(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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