1-(3-chloranyl-4-fluoranyl-phenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C26H30ClFN2O3 MolecularWeight: 472.979403

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)OC)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(CCCC(C)(C)OC)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C26H30ClFN2O3/c1-17(9-8-14-26(2,3)33-4)15-22-23(25(31)32)24(18-10-6-5-7-11-18)30(29-22)19-12-13-21(28)20(27)16-19/h5-7,10-13,16-17H,8-9,14-15H2,1-4H3,(H,31,32)