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

Systemtic Name: 1-adamantylmethyl 1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1-adamantylmethyl 1,3-dioxoisoindoline-5-carboxylate CAS Name: 1,3-dioxo-5-isoindolecarboxylic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketoisoindoline-5-carboxylic acid 1-adamantylmethyl ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC5=C(C=C4)C(=O)NC5=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC5=C(C=C4)C(=O)NC5=O

InChI

InChI=1S/C20H21NO4/c22-17-15-2-1-14(6-16(15)18(23)21-17)19(24)25-10-20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,11-13H,3-5,7-10H2,(H,21,22,23)