(2R)-1-[(2-ethoxycarbonyl-7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-[(2-ethoxycarbonyl-7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[(2-ethoxycarbonyl-7-hydroxy-4-oxo-3-phenoxy-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(2-ethoxycarbonyl-7-hydroxy-4-oxo-3-phenoxy-1-benzopyran-8-yl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-[(2-ethoxycarbonyl-7-hydroxy-4-oxo-3-phenoxychromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(2-carbethoxy-7-hydroxy-4-keto-3-phenoxy-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate Formula: C24H23NO8 MolecularWeight: 453.44132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3C(=O)[O-])OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCC[C@@H]3C(=O)[O-])OC4=CC=CC=C4

InChI

InChI=1S/C24H23NO8/c1-2-31-24(30)22-21(32-14-7-4-3-5-8-14)19(27)15-10-11-18(26)16(20(15)33-22)13-25-12-6-9-17(25)23(28)29/h3-5,7-8,10-11,17,26H,2,6,9,12-13H2,1H3,(H,28,29)/t17-/m1/s1