[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(o-tolyl)isoindoline-5-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C28H27NO5 MolecularWeight: 457.51768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H27NO5/c1-16-4-2-3-5-23(16)29-25(31)21-7-6-20(11-22(21)26(29)32)27(33)34-15-24(30)28-12-17-8-18(13-28)10-19(9-17)14-28/h2-7,11,17-19H,8-10,12-15H2,1H3