(E)-2-methyl-3-[3-methyl-4-[oxidanyl(pyridin-3-yl)methyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-methyl-3-[3-methyl-4-[oxidanyl(pyridin-3-yl)methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[hydroxy(3-pyridyl)methyl]-3-methyl-phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-[hydroxy(3-pyridinyl)methyl]-3-methylphenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-[hydroxy(pyridin-3-yl)methyl]-3-methylphenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[4-[hydroxy(3-pyridyl)methyl]-3-methyl-phenyl]-2-methyl-acrylic acid Formula: C17H17NO3 MolecularWeight: 283.32178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=C(C)C(=O)O)C(C2=CN=CC=C2)O

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C(\C)/C(=O)O)C(C2=CN=CC=C2)O

InChI

InChI=1S/C17H17NO3/c1-11-8-13(9-12(2)17(20)21)5-6-15(11)16(19)14-4-3-7-18-10-14/h3-10,16,19H,1-2H3,(H,20,21)/b12-9+