ethyl 3-[[2-(1,3-benzodioxol-5-ylcarbonyl)pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(1,3-benzodioxol-5-ylcarbonyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(1,3-benzodioxole-5-carbonyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[1,3-benzodioxol-5-yl(oxo)methyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1,3-benzodioxole-5-carbonyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[(2-piperonyloylpyrazolidine-1-carbonyl)amino]benzoic acid ethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O6/c1-2-28-20(26)15-5-3-6-16(11-15)22-21(27)24-10-4-9-23(24)19(25)14-7-8-17-18(12-14)30-13-29-17/h3,5-8,11-12H,2,4,9-10,13H2,1H3,(H,22,27)