[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)Cl)C

InChI

InChI=1S/C21H27ClN2O3/c1-12-3-13(2)24-19(22)18(12)20(26)27-10-17(25)23-11-21-7-14-4-15(8-21)6-16(5-14)9-21/h3,14-16H,4-11H2,1-2H3,(H,23,25)