(phenylmethyl) 5-[(3S)-3-oxidanylbut-1-ynyl]pyridine-2-carboxylate

Systemtic Name: (phenylmethyl) 5-[(3S)-3-oxidanylbut-1-ynyl]pyridine-2-carboxylate Openeye Name: benzyl 5-[(3S)-3-hydroxybut-1-ynyl]pyridine-2-carboxylate CAS Name: 5-[(3S)-3-hydroxybut-1-ynyl]-2-pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(3S)-3-hydroxybut-1-ynyl]pyridine-2-carboxylate Traditional Name: 5-[(3S)-3-hydroxybut-1-ynyl]picolinic acid benzyl ester Formula: C17H15NO3 MolecularWeight: 281.3059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CN=C(C=C1)C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

C[C@@H](C#CC1=CN=C(C=C1)C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C17H15NO3/c1-13(19)7-8-14-9-10-16(18-11-14)17(20)21-12-15-5-3-2-4-6-15/h2-6,9-11,13,19H,12H2,1H3/t13-/m0/s1