1-adamantyl 2-(2-chloroethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 1-adamantyl 2-(2-chloroethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1-adamantyl 2-(2-chloroethyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-chloroethyl)-1,3-dioxo-5-isoindolecarboxylic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-(2-chloroethyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2-chloroethyl)-1,3-diketo-isoindoline-5-carboxylic acid 1-adamantyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CCCl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CCCl

InChI

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