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

Systemtic Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-methyl-pyrazole-4-carboxylic acid Formula: C21H29ClN2O3 MolecularWeight: 392.91956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CCCC(C)(C)OC)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)CCCC(C)(C)OC)C(=O)O

InChI

InChI=1S/C21H29ClN2O3/c1-14(8-7-11-21(3,4)27-5)12-18-19(20(25)26)15(2)24(23-18)17-10-6-9-16(22)13-17/h6,9-10,13-14H,7-8,11-12H2,1-5H3,(H,25,26)