3-(3-butan-2-yl-4-methoxy-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(3-butan-2-yl-4-methoxy-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(4-methoxy-3-sec-butyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(3-butan-2-yl-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(3-butan-2-yl-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(4-methoxy-3-sec-butyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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