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

Systemtic Name: 4-[2-(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl)oxyethanoylamino]butanoate Openeye Name: 4-[[2-(5-hydroxy-4-oxo-2-phenyl-chromen-7-yl)oxyacetyl]amino]butanoate CAS Name: 4-[[2-[(5-hydroxy-4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]butanoate IUPAC Name: 4-[[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]amino]butanoate Traditional Name: 4-[[2-(5-hydroxy-4-keto-2-phenyl-chromen-7-yl)oxyacetyl]amino]butyrate Formula: C21H18NO7- MolecularWeight: 396.37012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCC(=O)NCCCC(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCC(=O)NCCCC(=O)[O-])O

InChI

InChI=1S/C21H19NO7/c23-15-9-14(28-12-19(25)22-8-4-7-20(26)27)10-18-21(15)16(24)11-17(29-18)13-5-2-1-3-6-13/h1-3,5-6,9-11,23H,4,7-8,12H2,(H,22,25)(H,26,27)/p-1