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

Systemtic Name: (E)-3-[3-methyl-4-(pyridin-3-ylmethyl)phenyl]but-2-enoic acid hydrochloride Openeye Name: (E)-3-[3-methyl-4-(3-pyridylmethyl)phenyl]but-2-enoic acid hydrochloride CAS Name: (E)-3-[3-methyl-4-(3-pyridinylmethyl)phenyl]-2-butenoic acid hydrochloride IUPAC Name: (E)-3-[3-methyl-4-(pyridin-3-ylmethyl)phenyl]but-2-enoic acid hydrochloride Traditional Name: (E)-3-[3-methyl-4-(3-pyridylmethyl)phenyl]but-2-enoic acid hydrochloride Formula: C17H18ClNO2 MolecularWeight: 303.78332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=CC(=O)O)C)CC2=CN=CC=C2.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)/C(=C/C(=O)O)/C)CC2=CN=CC=C2.Cl

InChI

InChI=1S/C17H17NO2.ClH/c1-12-8-15(13(2)9-17(19)20)5-6-16(12)10-14-4-3-7-18-11-14;/h3-9,11H,10H2,1-2H3,(H,19,20);1H/b13-9+;