5-butyl-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-butyl-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazole-3-carboxylic acid Openeye Name: 5-butyl-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazole-3-carboxylic acid CAS Name: 5-butyl-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-butyl-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]pyrazole-3-carboxylic acid Traditional Name: 5-butyl-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-m-anisyl-pyrazole-3-carboxylic acid Formula: C24H25ClN2O5 MolecularWeight: 456.9187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H25ClN2O5/c1-3-4-8-20-18(10-16-11-21-22(12-19(16)25)32-14-31-21)23(24(28)29)27(26-20)13-15-6-5-7-17(9-15)30-2/h5-7,9,11-12H,3-4,8,10,13-14H2,1-2H3,(H,28,29)