ethyl 3-[[2-(1-ethanoylpiperidin-4-yl)carbonylpyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(1-ethanoylpiperidin-4-yl)carbonylpyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(1-acetylpiperidine-4-carbonyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[(1-acetyl-4-piperidinyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1-acetylpiperidine-4-carbonyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(1-acetylisonipecotoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)C3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H28N4O5/c1-3-30-20(28)17-6-4-7-18(14-17)22-21(29)25-11-5-10-24(25)19(27)16-8-12-23(13-9-16)15(2)26/h4,6-7,14,16H,3,5,8-13H2,1-2H3,(H,22,29)