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

Systemtic Name: [(4S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 2-pyridin-4-ylpropanoate Openeye Name: [(2S)-2,6,6-trimethylnorpinan-3-yl] 2-(4-pyridyl)propanoate CAS Name: 2-pyridin-4-ylpropanoic 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-ylpropanoate Traditional Name: 2-(4-pyridyl)propionic acid [(2S)-2,6,6-trimethylnorpinan-3-yl] ester Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(C2(C)C)CC1OC(=O)C(C)C3=CC=NC=C3

Isomeric SMILES

C[C@H]1C2CC(C2(C)C)CC1OC(=O)C(C)C3=CC=NC=C3

InChI

InChI=1S/C18H25NO2/c1-11(13-5-7-19-8-6-13)17(20)21-16-10-14-9-15(12(16)2)18(14,3)4/h5-8,11-12,14-16H,9-10H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1