1-(3-chlorophenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chlorophenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C24H27ClN2O2 MolecularWeight: 410.93638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN2O2/c1-16(15-24(2,3)4)13-20-21(23(28)29)22(17-9-6-5-7-10-17)27(26-20)19-12-8-11-18(25)14-19/h5-12,14,16H,13,15H2,1-4H3,(H,28,29)