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

Systemtic Name: pyridin-2-ylmethyl 3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: 2-pyridylmethyl 3-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(5-methyl-1,3-dioxo-2-isoindolyl)propanoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-5-methyl-isoindolin-2-yl)propionic acid 2-pyridylmethyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)OCC3=CC=CC=N3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C18H16N2O4/c1-12-5-6-14-15(10-12)18(23)20(17(14)22)9-7-16(21)24-11-13-4-2-3-8-19-13/h2-6,8,10H,7,9,11H2,1H3