[1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-propylphenyl)ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-oxo-1-(4-propylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-propylphenyl)propan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-keto-1-methyl-2-(4-propylphenyl)ethyl] ester Formula: C24H25ClN2O3 MolecularWeight: 424.9199

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C24H25ClN2O3/c1-4-8-18-11-13-20(14-12-18)22(28)17(3)30-24(29)21-16(2)26-27(23(21)25)15-19-9-6-5-7-10-19/h5-7,9-14,17H,4,8,15H2,1-3H3