phenacyl (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate

Systemtic Name: phenacyl (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Openeye Name: phenacyl (E)-3-[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-propenoic acid phenacyl ester IUPAC Name: phenacyl (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]acrylic acid phenacyl ester Formula: C24H24N2O3 MolecularWeight: 388.45896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)OCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)OCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C24H24N2O3/c1-17-9-11-20(12-10-17)15-26-19(3)22(18(2)25-26)13-14-24(28)29-16-23(27)21-7-5-4-6-8-21/h4-14H,15-16H2,1-3H3/b14-13+