[3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-1H-indol-5-yl] adamantane-1-carboxylate

Systemtic Name: [3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-1H-indol-5-yl] adamantane-1-carboxylate Openeye Name: [3-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-1H-indol-5-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [3-[2-(1,3-dioxo-2-isoindolyl)ethyl]-1H-indol-5-yl] ester IUPAC Name: [3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1H-indol-5-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [3-(2-phthalimidoethyl)-1H-indol-5-yl] ester Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CC5=C(C=C4)NC=C5CCN6C(=O)C7=CC=CC=C7C6=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CC5=C(C=C4)NC=C5CCN6C(=O)C7=CC=CC=C7C6=O

InChI

InChI=1S/C29H28N2O4/c32-26-22-3-1-2-4-23(22)27(33)31(26)8-7-20-16-30-25-6-5-21(12-24(20)25)35-28(34)29-13-17-9-18(14-29)11-19(10-17)15-29/h1-6,12,16-19,30H,7-11,13-15H2