(2S)-2-[[5-[(4-methylphenyl)methoxy]-2-oxidanyl-4-oxidanylidene-chromen-3-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[5-[(4-methylphenyl)methoxy]-2-oxidanyl-4-oxidanylidene-chromen-3-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[2-hydroxy-4-oxo-5-(p-tolylmethoxy)chromene-3-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[2-hydroxy-5-[(4-methylphenyl)methoxy]-4-oxo-1-benzopyran-3-yl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-hydroxy-5-[(4-methylphenyl)methoxy]-4-oxochromene-3-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-hydroxy-4-keto-5-(4-methylbenzyl)oxy-chromene-3-carbonyl]amino]propionic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC=CC3=C2C(=O)C(=C(O3)O)C(=O)NC(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=CC3=C2C(=O)C(=C(O3)O)C(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C21H19NO7/c1-11-6-8-13(9-7-11)10-28-14-4-3-5-15-16(14)18(23)17(21(27)29-15)19(24)22-12(2)20(25)26/h3-9,12,27H,10H2,1-2H3,(H,22,24)(H,25,26)/t12-/m0/s1