3-[4-(oxan-2-yloxymethyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[4-(oxan-2-yloxymethyl)pyrazol-1-yl]benzoic acid Openeye Name: 3-[4-(tetrahydropyran-2-yloxymethyl)pyrazol-1-yl]benzoic acid CAS Name: 3-[4-(2-oxanyloxymethyl)-1-pyrazolyl]benzoic acid IUPAC Name: 3-[4-(oxan-2-yloxymethyl)pyrazol-1-yl]benzoic acid Traditional Name: 3-[4-(tetrahydropyran-2-yloxymethyl)pyrazol-1-yl]benzoic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=CN(N=C2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCOC(C1)OCC2=CN(N=C2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H18N2O4/c19-16(20)13-4-3-5-14(8-13)18-10-12(9-17-18)11-22-15-6-1-2-7-21-15/h3-5,8-10,15H,1-2,6-7,11H2,(H,19,20)