(2R)-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxypropanoylamino]pentanedioic acid

Systemtic Name: (2R)-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxypropanoylamino]pentanedioic acid Openeye Name: (2R)-2-[2-(2-oxo-4-phenyl-chromen-7-yl)oxypropanoylamino]pentanedioic acid CAS Name: (2R)-2-[[1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]propyl]amino]pentanedioic acid IUPAC Name: (2R)-2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]pentanedioic acid Traditional Name: (2R)-2-[2-(2-keto-4-phenyl-chromen-7-yl)oxypropanoylamino]glutaric acid Formula: C23H21NO8 MolecularWeight: 439.41474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)O)C(=O)O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N[C@H](CCC(=O)O)C(=O)O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C23H21NO8/c1-13(22(28)24-18(23(29)30)9-10-20(25)26)31-15-7-8-16-17(14-5-3-2-4-6-14)12-21(27)32-19(16)11-15/h2-8,11-13,18H,9-10H2,1H3,(H,24,28)(H,25,26)(H,29,30)/t13?,18-/m1/s1