(2S)-2-[2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl]oxypropanoic acid

Systemtic Name: (2S)-2-[2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl]oxypropanoic acid Openeye Name: (2S)-2-[2-oxo-3-(phenethylcarbamoyl)chromen-7-yl]oxypropanoic acid CAS Name: (2S)-2-[[2-oxo-3-[oxo-(phenethylamino)methyl]-1-benzopyran-7-yl]oxy]propanoic acid IUPAC Name: (2S)-2-[2-oxo-3-(phenethylcarbamoyl)chromen-7-yl]oxypropanoic acid Traditional Name: (2S)-2-[2-keto-3-(phenethylcarbamoyl)chromen-7-yl]oxypropionic acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO6/c1-13(20(24)25)27-16-8-7-15-11-17(21(26)28-18(15)12-16)19(23)22-10-9-14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,22,23)(H,24,25)/t13-/m0/s1