methyl 4-[[1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)isoindol-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1,3-bis(oxidanylidene)-2-(pyridin-4-ylmethyl)isoindol-5-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1,3-dioxo-2-(4-pyridylmethyl)isoindoline-5-carbonyl]amino]benzoate CAS Name: 4-[[[1,3-dioxo-2-(pyridin-4-ylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carbonyl]amino]benzoate Traditional Name: 4-[[1,3-diketo-2-(4-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=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=NC=C4

Isomeric SMILES

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

InChI

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