(phenylmethyl) 3-(1,3-benzodioxol-5-yl)-9-oxidanylidene-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(1,3-benzodioxol-5-yl)-9-oxidanylidene-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylate Openeye Name: benzyl 3-(1,3-benzodioxol-5-yl)-9-oxo-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-9-oxo-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1,3-benzodioxol-5-yl)-9-oxo-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-9-keto-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylic acid benzyl ester Formula: C26H20N2O5 MolecularWeight: 440.4474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(N1C(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C6C2=O

Isomeric SMILES

C1C2=C(C(N1C(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C6C2=O

InChI

InChI=1S/C26H20N2O5/c29-25-18-8-4-5-9-20(18)27-23-19(25)13-28(26(30)31-14-16-6-2-1-3-7-16)24(23)17-10-11-21-22(12-17)33-15-32-21/h1-12,24H,13-15H2,(H,27,29)