methyl 3-(furan-3-ylcarbonylamino)-5-[[(1-pyrrolidin-1-ium-1-ylcyclopentyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 3-(furan-3-ylcarbonylamino)-5-[[(1-pyrrolidin-1-ium-1-ylcyclopentyl)carbonylamino]methyl]benzoate Openeye Name: methyl 3-(furan-3-carbonylamino)-5-[[(1-pyrrolidin-1-ium-1-ylcyclopentanecarbonyl)amino]methyl]benzoate CAS Name: 3-[[3-furanyl(oxo)methyl]amino]-5-[[[oxo-[1-(1-pyrrolidin-1-iumyl)cyclopentyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(furan-3-carbonylamino)-5-[[(1-pyrrolidin-1-ium-1-ylcyclopentanecarbonyl)amino]methyl]benzoate Traditional Name: 3-(3-furoylamino)-5-[[(1-pyrrolidin-1-ium-1-ylcyclopentanecarbonyl)amino]methyl]benzoic acid methyl ester Formula: C24H30N3O5+ MolecularWeight: 440.5121

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=COC=C2)CNC(=O)C3(CCCC3)[NH+]4CCCC4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=COC=C2)CNC(=O)C3(CCCC3)[NH+]4CCCC4

InChI

InChI=1S/C24H29N3O5/c1-31-22(29)19-12-17(13-20(14-19)26-21(28)18-6-11-32-16-18)15-25-23(30)24(7-2-3-8-24)27-9-4-5-10-27/h6,11-14,16H,2-5,7-10,15H2,1H3,(H,25,30)(H,26,28)/p+1