[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3,4,5-tris(chloranyl)pyridine-2-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3,4,5-tris(chloranyl)pyridine-2-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3,4,5-trichloropyridine-2-carboxylate CAS Name: 3,4,5-trichloro-2-pyridinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate Traditional Name: 3,4,5-trichloropicolinic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C18H19Cl3N2O3 MolecularWeight: 417.71406

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=NC=C(C(=C4Cl)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=NC=C(C(=C4Cl)Cl)Cl

InChI

InChI=1S/C18H19Cl3N2O3/c19-12-7-22-16(15(21)14(12)20)17(25)26-8-13(24)23-18-4-9-1-10(5-18)3-11(2-9)6-18/h7,9-11H,1-6,8H2,(H,23,24)