(4-propan-2-ylphenyl)methyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-propan-2-ylphenyl)methyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-isopropylphenyl)methyl (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid (4-isopropylbenzyl) ester Formula: C24H25ClN2O2 MolecularWeight: 408.9205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=CC=C(C=C2)C(C)C)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=CC=C(C=C2)C(C)C)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C24H25ClN2O2/c1-17(2)21-11-9-20(10-12-21)16-29-23(28)14-13-22-18(3)26-27(24(22)25)15-19-7-5-4-6-8-19/h4-14,17H,15-16H2,1-3H3/b14-13+