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

Systemtic Name: 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzoic acid Openeye Name: 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid CAS Name: 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid IUPAC Name: 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid Traditional Name: 4-(4-keto-3-piperonyl-1,2-dihydroquinazolin-2-yl)benzoic acid Formula: C23H18N2O5 MolecularWeight: 402.39942

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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=C(C=C5)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C23H18N2O5/c26-22-17-3-1-2-4-18(17)24-21(15-6-8-16(9-7-15)23(27)28)25(22)12-14-5-10-19-20(11-14)30-13-29-19/h1-11,21,24H,12-13H2,(H,27,28)