[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,6-bis(chloranyl)pyridine-4-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2,6-bis(chloranyl)pyridine-4-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2,6-dichloropyridine-4-carboxylate CAS Name: 2,6-dichloro-4-pyridinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate Traditional Name: 2,6-dichloroisonicotinic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C18H20Cl2N2O3 MolecularWeight: 383.269

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=NC(=C4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=NC(=C4)Cl)Cl

InChI

InChI=1S/C18H20Cl2N2O3/c19-14-4-13(5-15(20)21-14)17(24)25-9-16(23)22-18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,10-12H,1-3,6-9H2,(H,22,23)