ethyl 2-[5-(1-adamantyl)-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: ethyl 2-[5-(1-adamantyl)-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: ethyl 2-[5-(1-adamantyl)-1,3-dioxo-isoindolin-2-yl]acetate CAS Name: 2-[5-(1-adamantyl)-1,3-dioxo-2-isoindolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(1-adamantyl)-1,3-dioxoisoindol-2-yl]acetate Traditional Name: 2-[5-(1-adamantyl)-1,3-diketo-isoindolin-2-yl]acetic acid ethyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25NO4/c1-2-27-19(24)12-23-20(25)17-4-3-16(8-18(17)21(23)26)22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,13-15H,2,5-7,9-12H2,1H3