ethyl 3-[[2-(6-acetamidohexanoyl)pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(6-acetamidohexanoyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(6-acetamidohexanoyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-(6-acetamido-1-oxohexyl)-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(6-acetamidohexanoyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(6-acetamidohexanoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)CCCCCNC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)CCCCCNC(=O)C

InChI

InChI=1S/C21H30N4O5/c1-3-30-20(28)17-9-7-10-18(15-17)23-21(29)25-14-8-13-24(25)19(27)11-5-4-6-12-22-16(2)26/h7,9-10,15H,3-6,8,11-14H2,1-2H3,(H,22,26)(H,23,29)