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

Systemtic Name: 3-[3-[2-methyl-4-(oxan-2-yloxymethyl)pyrazol-3-yl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[2-methyl-4-(tetrahydropyran-2-yloxymethyl)pyrazol-3-yl]phenyl]-3-oxo-propanoic acid CAS Name: 3-[3-[2-methyl-4-(2-oxanyloxymethyl)-3-pyrazolyl]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-[2-methyl-4-(oxan-2-yloxymethyl)pyrazol-3-yl]phenyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[3-[2-methyl-4-(tetrahydropyran-2-yloxymethyl)pyrazol-3-yl]phenyl]propionic acid Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)COC2CCCCO2)C3=CC(=CC=C3)C(=O)CC(=O)O

Isomeric SMILES

CN1C(=C(C=N1)COC2CCCCO2)C3=CC(=CC=C3)C(=O)CC(=O)O

InChI

InChI=1S/C19H22N2O5/c1-21-19(14-6-4-5-13(9-14)16(22)10-17(23)24)15(11-20-21)12-26-18-7-2-3-8-25-18/h4-6,9,11,18H,2-3,7-8,10,12H2,1H3,(H,23,24)