(6-chloranylpyridin-3-yl)methyl 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid (6-chloro-3-pyridyl)methyl ester Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC5=CN=C(C=C5)Cl

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC5=CN=C(C=C5)Cl

InChI

InChI=1S/C22H27ClN2O3/c23-19-4-3-14(12-24-19)13-28-20(26)18-2-1-5-25(18)21(27)22-9-15-6-16(10-22)8-17(7-15)11-22/h3-4,12,15-18H,1-2,5-11,13H2