[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-phthalimidobenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H25NO5 MolecularWeight: 443.4911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C27H25NO5/c29-23(27-12-16-9-17(13-27)11-18(10-16)14-27)15-33-26(32)19-5-7-20(8-6-19)28-24(30)21-3-1-2-4-22(21)25(28)31/h1-8,16-18H,9-15H2