3-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxy-phenyl]pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxy-phenyl]pyrazol-1-yl]benzoic acid Openeye Name: 3-[5-[4-methoxy-3-[(3R)-tetrahydrofuran-3-yl]oxy-phenyl]pyrazol-1-yl]benzoic acid CAS Name: 3-[5-[4-methoxy-3-[[(3R)-3-oxolanyl]oxy]phenyl]-1-pyrazolyl]benzoic acid IUPAC Name: 3-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]benzoic acid Traditional Name: 3-[5-[4-methoxy-3-[(3R)-tetrahydrofuran-3-yl]oxy-phenyl]pyrazol-1-yl]benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=NN2C3=CC=CC(=C3)C(=O)O)OC4CCOC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=NN2C3=CC=CC(=C3)C(=O)O)O[C@@H]4CCOC4

InChI

InChI=1S/C21H20N2O5/c1-26-19-6-5-14(12-20(19)28-17-8-10-27-13-17)18-7-9-22-23(18)16-4-2-3-15(11-16)21(24)25/h2-7,9,11-12,17H,8,10,13H2,1H3,(H,24,25)/t17-/m1/s1