diethyl 5-(2-pyrrolidin-1-ium-1-ylethanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-(2-pyrrolidin-1-ium-1-ylethanoylamino)benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C18H25N2O5+ MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C[NH+]2CCCC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C[NH+]2CCCC2)C(=O)OCC

InChI

InChI=1S/C18H24N2O5/c1-3-24-17(22)13-9-14(18(23)25-4-2)11-15(10-13)19-16(21)12-20-7-5-6-8-20/h9-11H,3-8,12H2,1-2H3,(H,19,21)/p+1