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

Systemtic Name: (E)-3-[4-(pyridin-3-ylmethyl)phenyl]but-2-enoic acid hydrochloride Openeye Name: (E)-3-[4-(3-pyridylmethyl)phenyl]but-2-enoic acid hydrochloride CAS Name: (E)-3-[4-(3-pyridinylmethyl)phenyl]-2-butenoic acid hydrochloride IUPAC Name: (E)-3-[4-(pyridin-3-ylmethyl)phenyl]but-2-enoic acid hydrochloride Traditional Name: (E)-3-[4-(3-pyridylmethyl)phenyl]but-2-enoic acid hydrochloride Formula: C16H16ClNO2 MolecularWeight: 289.75674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO2.ClH/c1-12(9-16(18)19)15-6-4-13(5-7-15)10-14-3-2-8-17-11-14;/h2-9,11H,10H2,1H3,(H,18,19);1H/b12-9+;