(E)-2-methyl-3-[4-(1-pyridin-3-ylethyl)phenyl]prop-2-enoic acid hydrochloride

Systemtic Name: (E)-2-methyl-3-[4-(1-pyridin-3-ylethyl)phenyl]prop-2-enoic acid hydrochloride Openeye Name: (E)-2-methyl-3-[4-[1-(3-pyridyl)ethyl]phenyl]prop-2-enoic acid hydrochloride CAS Name: (E)-2-methyl-3-[4-[1-(3-pyridinyl)ethyl]phenyl]-2-propenoic acid hydrochloride IUPAC Name: (E)-2-methyl-3-[4-(1-pyridin-3-ylethyl)phenyl]prop-2-enoic acid hydrochloride Traditional Name: (E)-2-methyl-3-[4-[1-(3-pyridyl)ethyl]phenyl]acrylic acid hydrochloride Formula: C17H18ClNO2 MolecularWeight: 303.78332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO2.ClH/c1-12(17(19)20)10-14-5-7-15(8-6-14)13(2)16-4-3-9-18-11-16;/h3-11,13H,1-2H3,(H,19,20);1H/b12-10+;