[(4S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 2-pyridin-4-ylbutanoate

Systemtic Name: [(4S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 2-pyridin-4-ylbutanoate Openeye Name: [(2S)-2,6,6-trimethylnorpinan-3-yl] 2-(4-pyridyl)butanoate CAS Name: 2-pyridin-4-ylbutanoic acid [(4S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] ester IUPAC Name: [(4S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 2-pyridin-4-ylbutanoate Traditional Name: 2-(4-pyridyl)butyric acid [(2S)-2,6,6-trimethylnorpinan-3-yl] ester Formula: C19H27NO2 MolecularWeight: 301.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)C(=O)OC2CC3CC(C2C)C3(C)C

Isomeric SMILES

CCC(C1=CC=NC=C1)C(=O)OC2CC3CC([C@@H]2C)C3(C)C

InChI

InChI=1S/C19H27NO2/c1-5-15(13-6-8-20-9-7-13)18(21)22-17-11-14-10-16(12(17)2)19(14,3)4/h6-9,12,14-17H,5,10-11H2,1-4H3/t12-,14?,15?,16?,17?/m0/s1