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

Systemtic Name: (3R)-1-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[2-(5-hydroxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[2-(5-hydroxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acetyl]nipecotic acid Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCCC(C3)C(=O)O)C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CCC[C@H](C3)C(=O)O)C)C(=C1)O

InChI

InChI=1S/C19H21NO6/c1-10-6-14(21)17-11(2)13(19(25)26-15(17)7-10)8-16(22)20-5-3-4-12(9-20)18(23)24/h6-7,12,21H,3-5,8-9H2,1-2H3,(H,23,24)/t12-/m1/s1