(5-methyl-2-prop-1-en-2-yl-cyclohexyl) pyridine-4-carboxylate

Systemtic Name: (5-methyl-2-prop-1-en-2-yl-cyclohexyl) pyridine-4-carboxylate Openeye Name: (2-isopropenyl-5-methyl-cyclohexyl) pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [5-methyl-2-(1-methylethenyl)cyclohexyl] ester IUPAC Name: (5-methyl-2-prop-1-en-2-ylcyclohexyl) pyridine-4-carboxylate Traditional Name: isonicotinic acid (2-isopropenyl-5-methyl-cyclohexyl) ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=NC=C2)C(=C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=CC=NC=C2)C(=C)C

InChI

InChI=1S/C16H21NO2/c1-11(2)14-5-4-12(3)10-15(14)19-16(18)13-6-8-17-9-7-13/h6-9,12,14-15H,1,4-5,10H2,2-3H3