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

Systemtic Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethylheptyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-3-(6-methoxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C26H31ClN2O3 MolecularWeight: 454.98894

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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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN2O3/c1-18(10-9-15-26(2,3)32-4)16-22-23(25(30)31)24(19-11-6-5-7-12-19)29(28-22)21-14-8-13-20(27)17-21/h5-8,11-14,17-18H,9-10,15-16H2,1-4H3,(H,30,31)