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

Systemtic Name: 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-phenyl-pyrazole-3-carboxylic acid CAS Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-phenylpyrazole-3-carboxylic acid Traditional Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-phenyl-pyrazole-3-carboxylic acid Formula: C25H25ClN2O4 MolecularWeight: 452.93

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=C(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

Isomeric SMILES

C1CCC(CC1)CN2C(=C(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

InChI

InChI=1S/C25H25ClN2O4/c26-20-13-22-21(31-15-32-22)12-18(20)11-19-23(17-9-5-2-6-10-17)27-28(24(19)25(29)30)14-16-7-3-1-4-8-16/h2,5-6,9-10,12-13,16H,1,3-4,7-8,11,14-15H2,(H,29,30)