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

Systemtic Name: 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]-5-phenylpyrazole-3-carboxylic acid Traditional Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-m-anisyl-5-phenyl-pyrazole-3-carboxylic acid Formula: C26H21ClN2O5 MolecularWeight: 476.90834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C(=C(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2C(=C(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

InChI

InChI=1S/C26H21ClN2O5/c1-32-19-9-5-6-16(10-19)14-29-25(26(30)31)20(24(28-29)17-7-3-2-4-8-17)11-18-12-22-23(13-21(18)27)34-15-33-22/h2-10,12-13H,11,14-15H2,1H3,(H,30,31)