3-[3-[4-(oxan-2-yloxymethyl)pyrazol-1-yl]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-[4-(oxan-2-yloxymethyl)pyrazol-1-yl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-oxo-3-[3-[4-(tetrahydropyran-2-yloxymethyl)pyrazol-1-yl]phenyl]propanoic acid CAS Name: 3-[3-[4-(2-oxanyloxymethyl)-1-pyrazolyl]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-[4-(oxan-2-yloxymethyl)pyrazol-1-yl]phenyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[3-[4-(tetrahydropyran-2-yloxymethyl)pyrazol-1-yl]phenyl]propionic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5/c21-16(9-17(22)23)14-4-3-5-15(8-14)20-11-13(10-19-20)12-25-18-6-1-2-7-24-18/h3-5,8,10-11,18H,1-2,6-7,9,12H2,(H,22,23)