(2S)-3-methyl-2-[2-(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl)oxyethanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[2-(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl)oxyethanoylamino]butanoate Openeye Name: (2S)-2-[[2-(5-hydroxy-4-oxo-2-phenyl-chromen-7-yl)oxyacetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[(5-hydroxy-4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(5-hydroxy-4-keto-2-phenyl-chromen-7-yl)oxyacetyl]amino]-3-methyl-butyrate Formula: C22H20NO7- MolecularWeight: 410.3967

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H21NO7/c1-12(2)21(22(27)28)23-19(26)11-29-14-8-15(24)20-16(25)10-17(30-18(20)9-14)13-6-4-3-5-7-13/h3-10,12,21,24H,11H2,1-2H3,(H,23,26)(H,27,28)/p-1/t21-/m0/s1