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

Systemtic Name: 1-adamantylmethyl 2-(2-chloroethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1-adamantylmethyl 2-(2-chloroethyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-chloroethyl)-1,3-dioxo-5-isoindolecarboxylic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 2-(2-chloroethyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2-chloroethyl)-1,3-diketo-isoindoline-5-carboxylic acid 1-adamantylmethyl ester Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO4/c23-3-4-24-19(25)17-2-1-16(8-18(17)20(24)26)21(27)28-12-22-9-13-5-14(10-22)7-15(6-13)11-22/h1-2,8,13-15H,3-7,9-12H2