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

Systemtic Name: 3-(5-butan-2-yl-2-phenylmethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2-benzyloxy-5-sec-butyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(5-butan-2-yl-2-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(5-butan-2-yl-2-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(2-benzoxy-5-sec-butyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=NNC(=C3)C(=O)O

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=NNC(=C3)C(=O)O

InChI

InChI=1S/C21H22N2O3/c1-3-14(2)16-9-10-20(26-13-15-7-5-4-6-8-15)17(11-16)18-12-19(21(24)25)23-22-18/h4-12,14H,3,13H2,1-2H3,(H,22,23)(H,24,25)