(E)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[(3,5-dimethyl-1-pyrazolyl)methyl]-4-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-phenyl]acrylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC(=C2)C=CC(=O)O)OC)C

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC(=C2)/C=C/C(=O)O)OC)C

InChI

InChI=1S/C16H18N2O3/c1-11-8-12(2)18(17-11)10-14-9-13(5-7-16(19)20)4-6-15(14)21-3/h4-9H,10H2,1-3H3,(H,19,20)/b7-5+