1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-5-isopropyl-3-(6-methoxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-isopropyl-3-(6-methoxy-2,6-dimethyl-heptyl)pyrazole-4-carboxylic acid Formula: C23H33ClN2O3 MolecularWeight: 420.97272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CCCC(C)(C)OC)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CCCC(C)(C)OC)C(=O)O

InChI

InChI=1S/C23H33ClN2O3/c1-15(2)21-20(22(27)28)19(13-16(3)9-8-12-23(4,5)29-6)25-26(21)18-11-7-10-17(24)14-18/h7,10-11,14-16H,8-9,12-13H2,1-6H3,(H,27,28)