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

Systemtic Name: 1-(3-chlorophenyl)-3-(2,6-dimethyl-6-oxidanyl-heptyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-isopropyl-pyrazole-4-carboxylic acid Formula: C22H31ClN2O3 MolecularWeight: 406.94614

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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)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN2O3/c1-14(2)20-19(21(26)27)18(12-15(3)8-7-11-22(4,5)28)24-25(20)17-10-6-9-16(23)13-17/h6,9-10,13-15,28H,7-8,11-12H2,1-5H3,(H,26,27)