[2-(1-adamantyl)-2-oxidanylidene-ethyl] quinoxaline-2-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] quinoxaline-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C21H22N2O3/c24-19(21-8-13-5-14(9-21)7-15(6-13)10-21)12-26-20(25)18-11-22-16-3-1-2-4-17(16)23-18/h1-4,11,13-15H,5-10,12H2