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

Systemtic Name: (E)-3-[3-methyl-4-(pyridin-3-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-methyl-4-(3-pyridylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-methyl-4-(3-pyridinylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-methyl-4-(pyridin-3-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-methyl-4-(3-pyridylmethyl)phenyl]acrylic acid Formula: C16H15NO2 MolecularWeight: 253.2958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO2/c1-12-9-13(5-7-16(18)19)4-6-15(12)10-14-3-2-8-17-11-14/h2-9,11H,10H2,1H3,(H,18,19)/b7-5+