[(3S)-1-phenylhex-4-yn-3-yl] pyridine-2-carboxylate

Systemtic Name: [(3S)-1-phenylhex-4-yn-3-yl] pyridine-2-carboxylate Openeye Name: [(1S)-1-phenethylbut-2-ynyl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [(3S)-1-phenylhex-4-yn-3-yl] ester IUPAC Name: [(3S)-1-phenylhex-4-yn-3-yl] pyridine-2-carboxylate Traditional Name: picolinic acid [(1S)-1-phenethylbut-2-ynyl] ester Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(CCC1=CC=CC=C1)OC(=O)C2=CC=CC=N2

Isomeric SMILES

CC#C[C@H](CCC1=CC=CC=C1)OC(=O)C2=CC=CC=N2

InChI

InChI=1S/C18H17NO2/c1-2-8-16(13-12-15-9-4-3-5-10-15)21-18(20)17-11-6-7-14-19-17/h3-7,9-11,14,16H,12-13H2,1H3/t16-/m1/s1