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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO2/c1-2-15(16(18)19)14-7-5-12(6-8-14)10-13-4-3-9-17-11-13/h2-9,11H,10H2,1H3,(H,18,19)/b15-2-