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

Systemtic Name: (E)-4-[4-(pyridin-3-ylmethyl)phenyl]but-2-enoic acid Openeye Name: (E)-4-[4-(3-pyridylmethyl)phenyl]but-2-enoic acid CAS Name: (E)-4-[4-(3-pyridinylmethyl)phenyl]-2-butenoic acid IUPAC Name: (E)-4-[4-(pyridin-3-ylmethyl)phenyl]but-2-enoic acid Traditional Name: (E)-4-[4-(3-pyridylmethyl)phenyl]but-2-enoic acid Formula: C16H15NO2 MolecularWeight: 253.2958

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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)C/C=C/C(=O)O

InChI

InChI=1S/C16H15NO2/c18-16(19)5-1-3-13-6-8-14(9-7-13)11-15-4-2-10-17-12-15/h1-2,4-10,12H,3,11H2,(H,18,19)/b5-1+