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

Systemtic Name: methyl 4-[1,3-bis(oxidanylidene)-5-(pyridin-3-ylmethylcarbamoyl)isoindol-2-yl]benzoate Openeye Name: methyl 4-[1,3-dioxo-5-(3-pyridylmethylcarbamoyl)isoindolin-2-yl]benzoate CAS Name: 4-[1,3-dioxo-5-[oxo-(3-pyridinylmethylamino)methyl]-2-isoindolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-dioxo-5-(pyridin-3-ylmethylcarbamoyl)isoindol-2-yl]benzoate Traditional Name: 4-[1,3-diketo-5-(3-pyridylmethylcarbamoyl)isoindolin-2-yl]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)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

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