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

Systemtic Name: pyridin-2-ylmethyl (E)-3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Openeye Name: 2-pyridylmethyl (E)-3-[5-chloro-3-methyl-1-(p-tolylmethyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-propenoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[5-chloro-3-methyl-1-(4-methylbenzyl)pyrazol-4-yl]acrylic acid 2-pyridylmethyl ester Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O2/c1-15-6-8-17(9-7-15)13-25-21(22)19(16(2)24-25)10-11-20(26)27-14-18-5-3-4-12-23-18/h3-12H,13-14H2,1-2H3/b11-10+