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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3/c26-21(24-14-23-10-15-7-16(11-23)9-17(8-15)12-23)13-28-22(27)20-6-5-18-3-1-2-4-19(18)25-20/h1-6,15-17H,7-14H2,(H,24,26)