3-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]propanoic acid

Systemtic Name: 3-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]propanoic acid Openeye Name: 3-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]propanoic acid CAS Name: 3-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]propanoic acid IUPAC Name: 3-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]propanoic acid Traditional Name: 3-(4-keto-3-piperonyl-quinazolin-2-yl)propionic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NC4=CC=CC=C4C3=O)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NC4=CC=CC=C4C3=O)CCC(=O)O

InChI

InChI=1S/C19H16N2O5/c22-18(23)8-7-17-20-14-4-2-1-3-13(14)19(24)21(17)10-12-5-6-15-16(9-12)26-11-25-15/h1-6,9H,7-8,10-11H2,(H,22,23)