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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO2/c18-16(19)8-2-5-13-4-1-6-14(10-13)11-15-7-3-9-17-12-15/h1-4,6-10,12H,5,11H2,(H,18,19)/b8-2+