2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-chloranyladamantane-1-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-chloranyladamantane-1-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid 2-phthalimidoethyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H22ClNO4/c22-21-10-13-7-14(11-21)9-20(8-13,12-21)19(26)27-6-5-23-17(24)15-3-1-2-4-16(15)18(23)25/h1-4,13-14H,5-12H2