4-[[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-(4-methoxy-3-tetrahydrofuran-2-yloxy-phenyl)pyrazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-[4-methoxy-3-(2-oxolanyloxy)phenyl]-1-pyrazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-[4-methoxy-3-(tetrahydrofuryloxy)phenyl]pyrazol-1-yl]methyl]benzoic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=NN2CC3=CC=C(C=C3)C(=O)O)OC4CCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=NN2CC3=CC=C(C=C3)C(=O)O)OC4CCCO4

InChI

InChI=1S/C22H22N2O5/c1-27-19-9-8-17(13-20(19)29-21-3-2-12-28-21)18-10-11-23-24(18)14-15-4-6-16(7-5-15)22(25)26/h4-11,13,21H,2-3,12,14H2,1H3,(H,25,26)