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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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