5-butyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-1-(4-phenylphenyl)ethyl]-2-propan-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 5-butyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-1-(4-phenylphenyl)ethyl]-2-propan-2-yl-pyrazole-3-carboxylic acid Openeye Name: 4-[2-tert-butoxy-2-oxo-1-(4-phenylphenyl)ethyl]-5-butyl-2-isopropyl-pyrazole-3-carboxylic acid CAS Name: 5-butyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-(4-phenylphenyl)ethyl]-2-propan-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 5-butyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-(4-phenylphenyl)ethyl]-2-propan-2-ylpyrazole-3-carboxylic acid Traditional Name: 4-[2-tert-butoxy-2-keto-1-(4-phenylphenyl)ethyl]-5-butyl-2-isopropyl-pyrazole-3-carboxylic acid Formula: C29H36N2O4 MolecularWeight: 476.60714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1C(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)C(=O)O)C(C)C

Isomeric SMILES

CCCCC1=NN(C(=C1C(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)C(=O)O)C(C)C

InChI

InChI=1S/C29H36N2O4/c1-7-8-14-23-25(26(27(32)33)31(30-23)19(2)3)24(28(34)35-29(4,5)6)22-17-15-21(16-18-22)20-12-10-9-11-13-20/h9-13,15-19,24H,7-8,14H2,1-6H3,(H,32,33)