dimethyl 5-[[3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindol-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindol-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-oxo-2-(3-pyridylmethyl)isoindoline-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[3-oxo-2-(3-pyridinylmethyl)-1H-isoindol-4-yl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-keto-2-(3-pyridylmethyl)isoindoline-4-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4)C(=O)OC

InChI

InChI=1S/C25H21N3O6/c1-33-24(31)17-9-18(25(32)34-2)11-19(10-17)27-22(29)20-7-3-6-16-14-28(23(30)21(16)20)13-15-5-4-8-26-12-15/h3-12H,13-14H2,1-2H3,(H,27,29)