[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CC6CCCO6

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CC6CCCO6

InChI

InChI=1S/C27H31NO6/c1-15(23(29)27-11-16-7-17(12-27)9-18(8-16)13-27)34-26(32)19-4-5-21-22(10-19)25(31)28(24(21)30)14-20-3-2-6-33-20/h4-5,10,15-18,20H,2-3,6-9,11-14H2,1H3