methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoate

Systemtic Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoate Openeye Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoate CAS Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoate Traditional Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-[3-(4-ketoquinazolin-3-yl)propanoylamino]propionic acid methyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC2=C(C=C1)OCO2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C[C@H](C1=CC2=C(C=C1)OCO2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O6/c1-29-21(27)11-17(14-6-7-18-19(10-14)31-13-30-18)24-20(26)8-9-25-12-23-16-5-3-2-4-15(16)22(25)28/h2-7,10,12,17H,8-9,11,13H2,1H3,(H,24,26)/t17-/m1/s1