3-[2-cyclohexyl-5-(3,4-dichlorophenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid

Systemtic Name: 3-[2-cyclohexyl-5-(3,4-dichlorophenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Openeye Name: 3-[2-cyclohexyl-5-(3,4-dichlorophenyl)pyrazol-3-yl]-2-(m-tolyl)propanoic acid CAS Name: 3-[2-cyclohexyl-5-(3,4-dichlorophenyl)-3-pyrazolyl]-2-(3-methylphenyl)propanoic acid IUPAC Name: 3-[2-cyclohexyl-5-(3,4-dichlorophenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Traditional Name: 3-[2-cyclohexyl-5-(3,4-dichlorophenyl)pyrazol-3-yl]-2-(m-tolyl)propionic acid Formula: C25H26Cl2N2O2 MolecularWeight: 457.39214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC2=CC(=NN2C3CCCCC3)C4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC2=CC(=NN2C3CCCCC3)C4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C25H26Cl2N2O2/c1-16-6-5-7-17(12-16)21(25(30)31)14-20-15-24(18-10-11-22(26)23(27)13-18)28-29(20)19-8-3-2-4-9-19/h5-7,10-13,15,19,21H,2-4,8-9,14H2,1H3,(H,30,31)