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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CN(N=C2)C)C)C=CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CN(N=C2)C)C)/C=C/C(=O)O

InChI

InChI=1S/C16H18N2O3/c1-11-6-13(4-5-15(19)20)7-12(2)16(11)21-10-14-8-17-18(3)9-14/h4-9H,10H2,1-3H3,(H,19,20)/b5-4+