methyl 3-[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]carbonylpyridine-4-carboxylate

Systemtic Name: methyl 3-[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]carbonylpyridine-4-carboxylate Openeye Name: methyl 3-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carbonyl]pyridine-4-carboxylate CAS Name: 3-[[2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carbonyl]pyridine-4-carboxylate Traditional Name: 3-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidine-1-carbonyl]isonicotinic acid methyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=NC=C1)C(=O)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=C(C=NC=C1)C(=O)N2CCCN2C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O6/c1-27-20(26)14-5-6-21-11-15(14)19(25)23-8-2-7-22(23)18(24)10-13-3-4-16-17(9-13)29-12-28-16/h3-6,9,11H,2,7-8,10,12H2,1H3