3-[4-[[3,5-bis(chloranyl)phenyl]methyl]-3,5-diethyl-pyrazol-1-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[4-[[3,5-bis(chloranyl)phenyl]methyl]-3,5-diethyl-pyrazol-1-yl]-2-methyl-propanoic acid Openeye Name: 3-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethyl-pyrazol-1-yl]-2-methyl-propanoic acid CAS Name: 3-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethyl-1-pyrazolyl]-2-methylpropanoic acid IUPAC Name: 3-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]-2-methylpropanoic acid Traditional Name: 3-[4-(3,5-dichlorobenzyl)-3,5-diethyl-pyrazol-1-yl]-2-methyl-propionic acid Formula: C18H22Cl2N2O2 MolecularWeight: 369.28548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CC(C)C(=O)O)CC)CC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CCC1=C(C(=NN1CC(C)C(=O)O)CC)CC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C18H22Cl2N2O2/c1-4-16-15(8-12-6-13(19)9-14(20)7-12)17(5-2)22(21-16)10-11(3)18(23)24/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,23,24)