(2S)-1-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-(5-hydroxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-(5-hydroxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acetyl]pyrrolidine-2-carboxylate Formula: C18H18NO6- MolecularWeight: 344.33862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCCC3C(=O)[O-])C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCC[C@H]3C(=O)[O-])C)C(=C1)O

InChI

InChI=1S/C18H19NO6/c1-9-6-13(20)16-10(2)11(18(24)25-14(16)7-9)8-15(21)19-5-3-4-12(19)17(22)23/h6-7,12,20H,3-5,8H2,1-2H3,(H,22,23)/p-1/t12-/m0/s1