[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(4-ethoxyphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-ethoxyphenyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-p-phenetyl-isoindoline-5-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C29H29NO6 MolecularWeight: 487.54366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H29NO6/c1-2-35-22-6-4-21(5-7-22)30-26(32)23-8-3-20(12-24(23)27(30)33)28(34)36-16-25(31)29-13-17-9-18(14-29)11-19(10-17)15-29/h3-8,12,17-19H,2,9-11,13-16H2,1H3