4-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]benzoic acid

Systemtic Name: 4-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]benzoic acid Openeye Name: 4-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]benzoic acid CAS Name: 4-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]benzoic acid IUPAC Name: 4-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]benzoic acid Traditional Name: 4-[3-(4-amoxyphenyl)-1H-pyrazol-5-yl]benzoic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H22N2O3/c1-2-3-4-13-26-18-11-9-16(10-12-18)20-14-19(22-23-20)15-5-7-17(8-6-15)21(24)25/h5-12,14H,2-4,13H2,1H3,(H,22,23)(H,24,25)