3-[3-[2-methyl-5-(oxan-2-yloxymethyl)pyrazol-3-yl]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-[2-methyl-5-(oxan-2-yloxymethyl)pyrazol-3-yl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[2-methyl-5-(tetrahydropyran-2-yloxymethyl)pyrazol-3-yl]phenyl]-3-oxo-propanoic acid CAS Name: 3-[3-[2-methyl-5-(2-oxanyloxymethyl)-3-pyrazolyl]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-[2-methyl-5-(oxan-2-yloxymethyl)pyrazol-3-yl]phenyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[3-[2-methyl-5-(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(=CC(=N1)COC2CCCCO2)C3=CC(=CC=C3)C(=O)CC(=O)O

Isomeric SMILES

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

InChI

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