7-[4-[5-(3-oxidanylprop-1-ynyl)pyridin-2-yl]phenoxy]heptanoic acid

Systemtic Name: 7-[4-[5-(3-oxidanylprop-1-ynyl)pyridin-2-yl]phenoxy]heptanoic acid Openeye Name: 7-[4-[5-(3-hydroxyprop-1-ynyl)-2-pyridyl]phenoxy]heptanoic acid CAS Name: 7-[4-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]phenoxy]heptanoic acid IUPAC Name: 7-[4-[5-(3-hydroxyprop-1-ynyl)pyridin-2-yl]phenoxy]heptanoic acid Traditional Name: 7-[4-[5-(3-hydroxyprop-1-ynyl)-2-pyridyl]phenoxy]enanthic acid Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC=C(C=C2)C#CCO)OCCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC=C(C=C2)C#CCO)OCCCCCCC(=O)O

InChI

InChI=1S/C21H23NO4/c23-14-5-6-17-8-13-20(22-16-17)18-9-11-19(12-10-18)26-15-4-2-1-3-7-21(24)25/h8-13,16,23H,1-4,7,14-15H2,(H,24,25)