[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C19H22ClNO3 MolecularWeight: 347.83588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C19H22ClNO3/c1-11(24-18(23)15-2-3-16(20)21-10-15)17(22)19-7-12-4-13(8-19)6-14(5-12)9-19/h2-3,10-14H,4-9H2,1H3/t11-,12?,13?,14?,19?/m1/s1