2-[4-[[3-butyl-5-(methoxymethyl)-1-phenyl-pyrazol-4-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1-phenyl-pyrazol-4-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1-phenyl-pyrazol-4-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1-phenyl-4-pyrazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1-phenylpyrazol-4-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1-phenyl-pyrazol-4-yl]methyl]phenyl]benzoic acid Formula: C29H30N2O3 MolecularWeight: 454.5601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)COC)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)COC)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O3/c1-3-4-14-27-26(28(20-34-2)31(30-27)23-10-6-5-7-11-23)19-21-15-17-22(18-16-21)24-12-8-9-13-25(24)29(32)33/h5-13,15-18H,3-4,14,19-20H2,1-2H3,(H,32,33)