5-butoxycarbonyl-1-oxidanidyl-1,3-bis(phenylmethyl)imidazolidin-1-ium-2-carboxylic acid

Systemtic Name: 5-butoxycarbonyl-1-oxidanidyl-1,3-bis(phenylmethyl)imidazolidin-1-ium-2-carboxylic acid Openeye Name: 1,3-dibenzyl-5-butoxycarbonyl-1-oxido-imidazolidin-1-ium-2-carboxylic acid CAS Name: 5-[butoxy(oxo)methyl]-1-oxido-1,3-bis(phenylmethyl)-2-imidazolidin-1-iumcarboxylic acid IUPAC Name: 1,3-dibenzyl-5-butoxycarbonyl-1-oxidoimidazolidin-1-ium-2-carboxylic acid Traditional Name: 1,3-dibenzyl-5-butoxycarbonyl-1-oxido-imidazolidin-1-ium-2-carboxylic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CN(C([N+]1(CC2=CC=CC=C2)[O-])C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1CN(C([N+]1(CC2=CC=CC=C2)[O-])C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5/c1-2-3-14-30-23(28)20-16-24(15-18-10-6-4-7-11-18)21(22(26)27)25(20,29)17-19-12-8-5-9-13-19/h4-13,20-21H,2-3,14-17H2,1H3,(H,26,27)