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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c25-20(24-22-10-14-7-15(11-22)9-16(8-14)12-22)13-27-21(26)19-6-5-17-3-1-2-4-18(17)23-19/h1-6,14-16H,7-13H2,(H,24,25)