(2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl) pyridine-4-carboxylate

Systemtic Name: (2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl) pyridine-4-carboxylate Openeye Name: (1,3,3-trimethylnorbornan-2-yl) pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl) ester IUPAC Name: (2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl) pyridine-4-carboxylate Traditional Name: isonicotinic acid (1,3,3-trimethylnorbornan-2-yl) ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C2)(C1OC(=O)C3=CC=NC=C3)C)C

Isomeric SMILES

CC1(C2CCC(C2)(C1OC(=O)C3=CC=NC=C3)C)C

InChI

InChI=1S/C16H21NO2/c1-15(2)12-4-7-16(3,10-12)14(15)19-13(18)11-5-8-17-9-6-11/h5-6,8-9,12,14H,4,7,10H2,1-3H3