[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-benzyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-benzyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CC6=CC=CC=C6

InChI

InChI=1S/C28H28N2O5/c31-24(29-28-12-18-8-19(13-28)10-20(9-18)14-28)16-35-27(34)21-6-7-22-23(11-21)26(33)30(25(22)32)15-17-4-2-1-3-5-17/h1-7,11,18-20H,8-10,12-16H2,(H,29,31)