3-methyl-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(2-oxo-4-phenyl-chromen-7-yl)oxyacetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]butanoic acid Traditional Name: 2-[[2-(2-keto-4-phenyl-chromen-7-yl)oxyacetyl]amino]-3-methyl-butyric acid Formula: C22H21NO6 MolecularWeight: 395.40524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO6/c1-13(2)21(22(26)27)23-19(24)12-28-15-8-9-16-17(14-6-4-3-5-7-14)11-20(25)29-18(16)10-15/h3-11,13,21H,12H2,1-2H3,(H,23,24)(H,26,27)