(phenylmethyl) (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (phenylmethyl) (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: benzyl (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid benzyl ester Formula: C21H20N2O2 MolecularWeight: 332.3957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2/c1-16-20(17(2)23(22-16)19-11-7-4-8-12-19)13-14-21(24)25-15-18-9-5-3-6-10-18/h3-14H,15H2,1-2H3/b14-13+