7-[4-(pyridin-3-ylmethyl)phenyl]hept-2-ynoic acid

Systemtic Name: 7-[4-(pyridin-3-ylmethyl)phenyl]hept-2-ynoic acid Openeye Name: 7-[4-(3-pyridylmethyl)phenyl]hept-2-ynoic acid CAS Name: 7-[4-(3-pyridinylmethyl)phenyl]-2-heptynoic acid IUPAC Name: 7-[4-(pyridin-3-ylmethyl)phenyl]hept-2-ynoic acid Traditional Name: 7-[4-(3-pyridylmethyl)phenyl]hept-2-ynoic acid Formula: C19H19NO2 MolecularWeight: 293.35966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO2/c21-19(22)8-4-2-1-3-6-16-9-11-17(12-10-16)14-18-7-5-13-20-15-18/h5,7,9-13,15H,1-3,6,14H2,(H,21,22)