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

Systemtic Name: pyridin-2-ylmethyl (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Openeye Name: 2-pyridylmethyl (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 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl (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 2-pyridylmethyl ester Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)OCC3=CC=CC=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)OCC3=CC=CC=N3)C

InChI

InChI=1S/C22H23N3O2/c1-16-7-9-19(10-8-16)14-25-18(3)21(17(2)24-25)11-12-22(26)27-15-20-6-4-5-13-23-20/h4-13H,14-15H2,1-3H3/b12-11+