(2S)-2-[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]pentanedioate

Systemtic Name: (2S)-2-[2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]pentanedioate Openeye Name: (2S)-2-[[2-(4-ethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]pentanedioate CAS Name: (2S)-2-[[2-[(4-ethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]pentanedioate IUPAC Name: (2S)-2-[[2-(4-ethyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanedioate Traditional Name: (2S)-2-[[2-(4-ethyl-2-keto-chromen-7-yl)oxyacetyl]amino]glutarate Formula: C18H17NO8-2 MolecularWeight: 375.32948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H19NO8/c1-2-10-7-17(23)27-14-8-11(3-4-12(10)14)26-9-15(20)19-13(18(24)25)5-6-16(21)22/h3-4,7-8,13H,2,5-6,9H2,1H3,(H,19,20)(H,21,22)(H,24,25)/p-2/t13-/m0/s1