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

Systemtic Name: 3-(2-phenylmethoxy-5-propyl-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2-benzyloxy-5-propyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(2-phenylmethoxy-5-propylphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(2-phenylmethoxy-5-propylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(2-benzoxy-5-propyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=NNC(=C3)C(=O)O

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=NNC(=C3)C(=O)O

InChI

InChI=1S/C20H20N2O3/c1-2-6-14-9-10-19(25-13-15-7-4-3-5-8-15)16(11-14)17-12-18(20(23)24)22-21-17/h3-5,7-12H,2,6,13H2,1H3,(H,21,22)(H,23,24)