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

Systemtic Name: pyridin-4-ylmethyl (3S)-3-(1,3-benzodioxol-5-yl)-9-oxidanylidene-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylate Openeye Name: 4-pyridylmethyl (3S)-3-(1,3-benzodioxol-5-yl)-9-oxo-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylate CAS Name: (3S)-3-(1,3-benzodioxol-5-yl)-9-oxo-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl (3S)-3-(1,3-benzodioxol-5-yl)-9-oxo-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylate Traditional Name: (3S)-3-(1,3-benzodioxol-5-yl)-9-keto-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylic acid 4-pyridylmethyl ester Formula: C25H19N3O5 MolecularWeight: 441.43546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C2=C([C@@H](N1C(=O)OCC3=CC=NC=C3)C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C6C2=O

InChI

InChI=1S/C25H19N3O5/c29-24-17-3-1-2-4-19(17)27-22-18(24)12-28(25(30)31-13-15-7-9-26-10-8-15)23(22)16-5-6-20-21(11-16)33-14-32-20/h1-11,23H,12-14H2,(H,27,29)/t23-/m0/s1