3-(5-butan-2-yl-2-methoxy-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(5-butan-2-yl-2-methoxy-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2-methoxy-5-sec-butyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(5-butan-2-yl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(5-butan-2-yl-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(2-methoxy-5-sec-butyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C15H18N2O3 MolecularWeight: 274.31502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OC)C2=NNC(=C2)C(=O)O

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OC)C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C15H18N2O3/c1-4-9(2)10-5-6-14(20-3)11(7-10)12-8-13(15(18)19)17-16-12/h5-9H,4H2,1-3H3,(H,16,17)(H,18,19)