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

Systemtic Name: 4-[4-(pyridin-3-ylmethyl)phenyl]but-2-ynoic acid Openeye Name: 4-[4-(3-pyridylmethyl)phenyl]but-2-ynoic acid CAS Name: 4-[4-(3-pyridinylmethyl)phenyl]-2-butynoic acid IUPAC Name: 4-[4-(pyridin-3-ylmethyl)phenyl]but-2-ynoic acid Traditional Name: 4-[4-(3-pyridylmethyl)phenyl]but-2-ynoic acid Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO2/c18-16(19)5-1-3-13-6-8-14(9-7-13)11-15-4-2-10-17-12-15/h2,4,6-10,12H,3,11H2,(H,18,19)