[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 6-pyrazol-1-ylpyridine-3-carboxylate

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 6-pyrazol-1-ylpyridine-3-carboxylate Openeye Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 6-pyrazol-1-ylpyridine-3-carboxylate CAS Name: 6-(1-pyrazolyl)-3-pyridinecarboxylic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 6-pyrazol-1-ylpyridine-3-carboxylate Traditional Name: 6-pyrazol-1-ylnicotinic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)COC(=O)C3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)COC(=O)C3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C18H15N3O4/c22-18(13-6-7-17(19-10-13)21-9-3-8-20-21)24-12-14-11-23-15-4-1-2-5-16(15)25-14/h1-10,14H,11-12H2/t14-/m1/s1