(2S)-2-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]-2-phenylacetic acid Traditional Name: (2S)-2-[[2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acetyl]amino]-2-phenyl-acetic acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC(C3=CC=CC=C3)C(=O)O)C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N[C@@H](C3=CC=CC=C3)C(=O)O)C)C(=C1)O

InChI

InChI=1S/C21H19NO6/c1-11-8-15(23)18-12(2)14(21(27)28-16(18)9-11)10-17(24)22-19(20(25)26)13-6-4-3-5-7-13/h3-9,19,23H,10H2,1-2H3,(H,22,24)(H,25,26)/t19-/m0/s1