(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H19NO7/c1-13(22-19(24)12-27-16-5-3-2-4-6-16)21(26)28-11-14-9-20(25)29-18-10-15(23)7-8-17(14)18/h2-10,13,23H,11-12H2,1H3,(H,22,24)/t13-/m0/s1