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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H23NO3/c24-20(22-10-14-7-15(11-22)9-16(8-14)12-22)13-26-21(25)19-6-5-17-3-1-2-4-18(17)23-19/h1-6,14-16H,7-13H2