6-[4-(pyridin-3-ylmethyl)phenyl]hex-2-ynoic acid

Systemtic Name: 6-[4-(pyridin-3-ylmethyl)phenyl]hex-2-ynoic acid Openeye Name: 6-[4-(3-pyridylmethyl)phenyl]hex-2-ynoic acid CAS Name: 6-[4-(3-pyridinylmethyl)phenyl]-2-hexynoic acid IUPAC Name: 6-[4-(pyridin-3-ylmethyl)phenyl]hex-2-ynoic acid Traditional Name: 6-[4-(3-pyridylmethyl)phenyl]hex-2-ynoic acid Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CC=C(C=C2)CCCC#CC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CC2=CC=C(C=C2)CCCC#CC(=O)O

InChI

InChI=1S/C18H17NO2/c20-18(21)7-3-1-2-5-15-8-10-16(11-9-15)13-17-6-4-12-19-14-17/h4,6,8-12,14H,1-2,5,13H2,(H,20,21)