1-[2-[(2,2-dimethyl-5-oxidanyl-4-oxidanylidene-3H-chromen-7-yl)oxy]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(2,2-dimethyl-5-oxidanyl-4-oxidanylidene-3H-chromen-7-yl)oxy]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(5-hydroxy-2,2-dimethyl-4-oxo-chroman-7-yl)oxyacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(5-hydroxy-4-keto-2,2-dimethyl-chroman-7-yl)oxyacetyl]isonipecotic acid Formula: C19H23NO7 MolecularWeight: 377.38842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)N3CCC(CC3)C(=O)O)O)C

Isomeric SMILES

CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)N3CCC(CC3)C(=O)O)O)C

InChI

InChI=1S/C19H23NO7/c1-19(2)9-14(22)17-13(21)7-12(8-15(17)27-19)26-10-16(23)20-5-3-11(4-6-20)18(24)25/h7-8,11,21H,3-6,9-10H2,1-2H3,(H,24,25)