2-[2-[(2S)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]phenoxy]ethanoate

Systemtic Name: 2-[2-[(2S)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]phenoxy]ethanoate Openeye Name: 2-[2-[(2S)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate CAS Name: 2-[2-[(2S)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate IUPAC Name: 2-[2-[(2S)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate Traditional Name: 2-[2-[(2S)-4-keto-3-piperonyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetate Formula: C24H19N2O6- MolecularWeight: 431.41746

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(NC4=CC=CC=C4C3=O)C5=CC=CC=C5OCC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3[C@H](NC4=CC=CC=C4C3=O)C5=CC=CC=C5OCC(=O)[O-]

InChI

InChI=1S/C24H20N2O6/c27-22(28)13-30-19-8-4-2-6-17(19)23-25-18-7-3-1-5-16(18)24(29)26(23)12-15-9-10-20-21(11-15)32-14-31-20/h1-11,23,25H,12-14H2,(H,27,28)/p-1/t23-/m0/s1