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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-phenylpyrazole-3-carboxylic acid Traditional Name: 2-m-anisyl-5-phenyl-4-piperonyl-pyrazole-3-carboxylic acid Formula: C26H22N2O5 MolecularWeight: 442.46328

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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=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2C(=C(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C26H22N2O5/c1-31-20-9-5-6-18(12-20)15-28-25(26(29)30)21(24(27-28)19-7-3-2-4-8-19)13-17-10-11-22-23(14-17)33-16-32-22/h2-12,14H,13,15-16H2,1H3,(H,29,30)