4-[[2-(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl)oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl)oxyethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(5-hydroxy-4-oxo-2-phenyl-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(5-hydroxy-4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(5-hydroxy-4-keto-2-phenyl-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C25H25NO7 MolecularWeight: 451.4685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)COC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)COC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C25H25NO7/c27-19-10-18(32-14-23(29)26-13-15-6-8-17(9-7-15)25(30)31)11-22-24(19)20(28)12-21(33-22)16-4-2-1-3-5-16/h1-5,10-12,15,17,27H,6-9,13-14H2,(H,26,29)(H,30,31)