methyl 3-[[1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindol-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindol-5-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1,3-dioxo-2-(3-pyridylmethyl)isoindoline-5-carbonyl]amino]benzoate CAS Name: 3-[[[1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carbonyl]amino]benzoate Traditional Name: 3-[[1,3-diketo-2-(3-pyridylmethyl)isoindoline-5-carbonyl]amino]benzoic acid methyl ester Formula: C23H17N3O5 MolecularWeight: 415.39818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C23H17N3O5/c1-31-23(30)16-5-2-6-17(10-16)25-20(27)15-7-8-18-19(11-15)22(29)26(21(18)28)13-14-4-3-9-24-12-14/h2-12H,13H2,1H3,(H,25,27)