3-[5-(1,3-benzodioxol-5-yl)-2-cyclohexyl-pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid

Systemtic Name: 3-[5-(1,3-benzodioxol-5-yl)-2-cyclohexyl-pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Openeye Name: 3-[5-(1,3-benzodioxol-5-yl)-2-cyclohexyl-pyrazol-3-yl]-2-(m-tolyl)propanoic acid CAS Name: 3-[5-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-pyrazolyl]-2-(3-methylphenyl)propanoic acid IUPAC Name: 3-[5-(1,3-benzodioxol-5-yl)-2-cyclohexylpyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Traditional Name: 3-[5-(1,3-benzodioxol-5-yl)-2-cyclohexyl-pyrazol-3-yl]-2-(m-tolyl)propionic acid Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC2=CC(=NN2C3CCCCC3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC2=CC(=NN2C3CCCCC3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C26H28N2O4/c1-17-6-5-7-18(12-17)22(26(29)30)14-21-15-23(27-28(21)20-8-3-2-4-9-20)19-10-11-24-25(13-19)32-16-31-24/h5-7,10-13,15,20,22H,2-4,8-9,14,16H2,1H3,(H,29,30)